cd ../src/mm_pbsa/Examples && AMBER_SOURCE=/home/haichit/amber_git/amber ./Run.mmpbsa.test: 1800.06 (s) cd nmropt && make all : 763.98 (s) cd antechamber && make -k test : 595.61 (s) cd abfqmmm/abfqmmm_lysozyme_md && ./Run.abfqmmm_lysozyme_md: 567.46 (s) cd rism3d.periodic/2igd && ./Run.2igd.kh.pme: 410.24 (s) cd rism3d.periodic/1d23 && ./Run.1d23.kh.pme: 389.76 (s) cd mmpbsa_py && make test : 363.11 (s) cd abfqmmm/abfqmmm_dmpoh_md && ./Run.abfqmmm_dmpoh_md: 318.02 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_link_atoms: 244.31 (s) cd sander_pbsa_frc && ./test : 181.40 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald: 146.09 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald_lowmem: 142.08 (s) cd /home/haichit/amber_git/amber/AmberTools/src/cpptraj/test && make -k test: 140.24 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme_qmewald: 138.89 (s) cd rism3d/ala && ./Run.ala : 133.76 (s) cd rism3d.periodic/4lzta && ./Run.4lzta_5.kh.pme: 111.82 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_qmewald2: 107.47 (s) cd amd && make -k test : 106.39 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1: 105.20 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb2: 098.91 (s) cd abfqmmm/abfqmmm_water_md && ./Run.abfqmmm_water_md: 098.24 (s) cd linear_interaction_energy && ./Run.lie: 089.81 (s) cd sebomd/DC/water32 && ./min.csh && ./md.csh: 083.00 (s) cd rism3d/ala && ./Run.ala.resize: 079.26 (s) cd rism3d/ala && ./Run.ala.min : 076.36 (s) cd PIMD/part_nmpimd_ntp && ./Run.nmpimd: 072.93 (s) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.md: 070.59 (s) cd sander_pbsa_ligand && ./Run : 070.07 (s) cd ../src/FEW/examples/test && AMBER_SOURCE=/home/haichit/amber_git/amber ./Run.few.test: 068.80 (s) cd amoeba_jac && ./Run.amoeba_jac: 065.70 (s) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.md: 059.78 (s) cd parmed/chamber && ./Run.parmed: 059.47 (s) cd jar && ./Run.jarz : 057.96 (s) cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md: 056.44 (s) cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.md: 054.15 (s) cd qmmm2/variable_solvent && ./Run.1NLN_MD_ntb1_vsolv: 049.11 (s) cd nab && make -k test $(TESTRISMSFF): 047.64 (s) cd sebomd/PM3/nucleoside && ./min.csh && ./md.csh: 042.60 (s) cd sebomd/AM1/nucleoside && ./min.csh && ./md.csh: 042.37 (s) cd abfqmmm/hotspot_water_md && ./Run.hotspot_water_md: 041.78 (s) cd sebomd/RM1/nucleoside && ./min.csh && ./md.csh: 041.34 (s) cd cnstph/implicit && ./Run.cnstph: 040.32 (s) cd sander_pbsa_delphi && ./Run.1az6.min: 036.85 (s) cd sebomd/MNDO/nucleoside && ./min.csh && ./md.csh: 035.26 (s) cd sander_pbsa_decpw && ./Run.pbsa_decpw: 035.09 (s) cd amoeba_jac && ./Run.amoeba_jac.ips: 034.75 (s) cd qmmm2/variable_solvent && ./Run.mg_periodic_vsolv_wat: 034.49 (s) cd gb1_cox2 && ./Run.cox2 : 033.96 (s) cd rism3d/ala && ./Run.ala.mdiis0: 032.12 (s) cd netcdf && make -k test OPT=$AMBERHOME/include/netcdf.mod: 029.72 (s) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.min: 028.78 (s) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.min: 028.52 (s) cd abfqmmm/adqmmm_water_md && ./Run.adqmmm_water_md: 027.36 (s) cd sander_pbsa_ipb2 && ./Run.110D.min: 026.30 (s) cd amoeba_gb1 && ./Run.amoeba_gb1: 026.15 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_min: 025.72 (s) cd leap && make -k test : 025.32 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_dis_neg: 025.20 (s) cd gact_ips && ./Run.ips_vacuum : 023.74 (s) cd rism3d/ala && ./Run.ala.mdiis1: 023.66 (s) cd gb8_trx && ./Run.trxox_md && ./Run.trxox_md prmtop_an: 023.49 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1: 023.41 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_method2: 023.31 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq2: 022.81 (s) cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.min: 022.29 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_qmewald2: 021.78 (s) cd dhfr && ./Run.dhfr && ./Run.dhfr prmtop_an: 021.54 (s) cd parmed/add12_6_4 && ./Run.parmed: 021.40 (s) cd rism3d.periodic/PH4+_triclinic && ./Run.PH4+_triclinic.kh.pme: 021.37 (s) cd abfqmmm/abfqmmm_water_sp && ./Run.abfqmmm_water_sp: 021.23 (s) cd sanderapi && make test : 020.09 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1_disp: 019.38 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb2: 019.25 (s) cd parmed/solvated_prmtop && ./Run.parmed: 018.76 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_auto: 018.60 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_dis_neg: 017.77 (s) cd PIMD/part_cmd_water/equilib && ./Run.cmdyn: 017.68 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevd: 017.58 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_method2: 017.50 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2: 017.44 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevd: 017.25 (s) cd PIMD/part_pimd_spcfw && ./Run.pimd: 017.01 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb2: 016.96 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyev: 016.94 (s) cd alp && ./Run.alp : 016.93 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_mmcorr: 016.89 (s) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1: 016.82 (s) cd /home/haichit/amber_git/amber/AmberTools/src/pdb4amber/tests/files/amberlite && ./Run.pdb4amber: 016.79 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspev: 016.44 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevx: 016.37 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_qmewald2: 016.28 (s) cd rism3d.periodic/imidazoleH+ && ./Run.imidazoleH+.kh.pme: 016.20 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV: 015.97 (s) cd ./sqm/dftb3 && ./Run : 015.18 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_internal: 015.14 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_min: 015.07 (s) cd gact_ips && ./Run.ipsnve : 014.97 (s) cd PIMD/part_rpmd_water && ./Run.rpmd: 014.87 (s) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevr: 014.72 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq1: 014.37 (s) cd cpinutil && ./Run.cpin : 014.10 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged_md: 013.58 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md: 013.39 (s) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1: 013.00 (s) cd dhfr && ./Run.dhfr.xmin : 012.95 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md: 012.82 (s) cd sander_pbsa_decres && ./Run.pbsa_decres: 012.74 (s) cd rism3d.periodic/PH4+ && ./Run.PH4+.kh.pme: 012.66 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_bigqmcut_md: 012.33 (s) cd sander_pbsa_tsr && ./Run.tsrb.min: 012.09 (s) cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md: 012.02 (s) cd gb7_trx && ./Run.trxox_md : 011.95 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged_md: 011.95 (s) cd 4096wat && ./Run.vrand : 011.75 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_bigqmcut_md: 011.46 (s) cd ff14ipq && ./Run.ff14ipq : 011.44 (s) cd qmmm_DFTB/crambin_DFTB && ./Run.crambin: 011.25 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme: 011.21 (s) cd parmed/chamber_prmtop && ./Run.parmed: 011.07 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_md: 011.06 (s) cd pytraj && make : 010.71 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_md: 010.71 (s) cd ubiquitin && ./Run.ubiquitin : 010.71 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms: 010.37 (s) cd gact_ips && ./Run.ips_dfft : 010.36 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq2: 010.33 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq1: 010.14 (s) cd parmed/normal_prmtop && ./Run.parmed: 010.09 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged: 009.73 (s) cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md_hot_start: 009.24 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme: 008.84 (s) cd sebomd/method3/alaninedipeptide && ./min.csh && ./md.csh: 008.74 (s) cd rism3d/ala && ./Run.ala.dist : 008.67 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM_MD: 008.59 (s) cd sander_pbsa_imin5 && ./Run.min: 008.58 (s) cd rism3d/phosphate && ./Run.ph1: 008.48 (s) cd iwrap2 && ./Run.iwrap2 : 008.48 (s) cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.min: 008.28 (s) cd circ_dna && ./Run.circdna : 008.05 (s) cd paramfit && make -k test : 007.96 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged: 007.92 (s) cd gact_ips && ./Run.ips : 007.90 (s) cd gb7_trx && ./Run.trxox && ./Run.trxox prmtop_an: 007.76 (s) cd 4096wat_oct && ./Run.pure_wat_oct: 007.74 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center: 007.64 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM: 007.39 (s) cd qmmm2/crambin_PM6 && ./Run.crambin_md: 007.26 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged: 007.22 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut_lowmem && ./Run.MG_QM_water_MM_MD: 007.18 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_telec: 007.17 (s) cd PIMD/part_cmd_water/restart && ./Run.cmdyn: 007.15 (s) cd qmmm2/crambin && ./Run.crambin_md: 007.12 (s) cd qmmm2/crambin && ./Run.crambin_md_hot_start: 007.00 (s) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center: 006.63 (s) cd qmmm2/MG_QM_water_MM_AM1_qmcut_lowmem && ./Run.MG_QM_water_MM_MD: 006.63 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2: 006.25 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb1: 006.21 (s) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_qmewald2: 006.21 (s) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM_MD: 006.17 (s) cd rism3d/phosphate && ./Run.ph1.pse3: 006.12 (s) cd qmmm2/crambin_PM6 && ./Run.crambin: 005.90 (s) cd scaledMD && make -k test : 005.72 (s) cd rism3d/phosphate && ./Run.ph2: 005.67 (s) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM: 005.66 (s) cd 4096wat && ./Run.pure_wat_nmr_temp_reg: 005.60 (s) cd qmmm2/crambin && ./Run.crambin: 005.59 (s) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM_MD: 005.51 (s) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged: 005.49 (s) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM: 005.48 (s) cd rism3d/phosphate && ./Run.ph1.pse1: 005.23 (s) cd PIMD/part_cmd_water/start && ./Run.cmdyn: 005.16 (s) cd dhfr && ./Run.dhfr.noshake : 005.01 (s) cd trx && ./Run.trx.cpln : 004.87 (s) cd dhfr && ./Run.dhfr.min : 004.65 (s) cd ./sqm/nma && ./Run : 004.43 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_alpb: 004.41 (s) cd parmed/ti_merge && ./Run.parmed: 004.22 (s) cd dhfr && ./Run.dhfr.min_prcg : 004.19 (s) cd tip4p && ./Run.tip4p_mcbar : 004.18 (s) cd trajene_box && ./Run.trajene : 004.18 (s) cd rism3d/phosphate && ./Run.ph20: 004.06 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq2: 003.99 (s) cd gb8_trx && ./Run.trxox : 003.93 (s) cd parmed/multifiles && ./Run.parmed: 003.88 (s) cd rism3d/ala && ./Run.ala.dist.xyzv: 003.81 (s) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_alpb: 003.68 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq1: 003.64 (s) cd gb2_trx && ./Run.trxox : 003.59 (s) cd qmmm2/qmmm_switching_func && ./Run.nma_md_switching: 003.57 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_saltcon: 003.47 (s) cd alpb_trx && ./Run.trxox : 003.41 (s) cd rism3d/phosphate && ./Run.ph10: 003.38 (s) cd dna_pol && ./Run.dna_pol : 003.31 (s) cd trajene && ./Run.trajene : 003.21 (s) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq1: 003.13 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2: 003.12 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin: 003.10 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_calc_mulliken: 003.08 (s) cd sebomd/AM1/methionine && ./min.csh && ./md.csh: 003.07 (s) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2: 003.07 (s) cd sebomd/AM1D/methionine && ./min.csh && ./md.csh: 003.06 (s) cd trx && ./Run.trx : 003.03 (s) cd sanderlesapi && make test : 003.02 (s) cd sebomd/RM1/methionine && ./min.csh && ./md.csh: 003.00 (s) cd sebomd/PM3/methionine && ./min.csh && ./md.csh: 002.97 (s) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_saltcon: 002.95 (s) cd sebomd/PM3/alaninedipeptide && ./min.csh && ./md.csh: 002.93 (s) cd PIMD/part_pimd_water && ./Run.pimd: 002.91 (s) cd sebomd/MNDO/methionine && ./min.csh && ./md.csh: 002.91 (s) cd rism3d/ala && ./Run.ala.hnc : 002.86 (s) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md: 002.64 (s) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq2: 002.61 (s) cd 4096wat && ./Run.pure_wat_fswitch: 002.52 (s) cd gbneck2nu/1hji && ./Run.1hji_md: 002.50 (s) cd rdc && ./Run.csa : 002.47 (s) cd cphstats && ./Run.cphstats : 002.26 (s) cd 4096wat && ./Run.pure_wat : 002.25 (s) cd trajene_netcdf && ./Run.trajene $AMBERHOME/include/netcdf.mod: 002.14 (s) cd mdgx/Triclinic && ./Test.triclinic: 002.01 (s) cd LES && ./Run.PME_LES : 001.96 (s) cd amoeba_wat2 && ./Run.amoeba_wat2: 001.94 (s) cd mdgx/ConfSamp && ./Test.cs : 001.92 (s) cd tgtmd/conserve_ene && ./Run.tgtmd: 001.91 (s) cd idecomp4 && ./run_idecomp4.sh: 001.87 (s) cd mdgx/MCBarostat && ./Test.mcb: 001.83 (s) cd amoeba_wat2 && ./Run.ntpverlet: 001.79 (s) cd sander_pbsa_lpb && ./Run.lsolver.min: 001.73 (s) cd rdc && ./Run.csa_min : 001.69 (s) cd qmmm2/crambin_2 && ./Run.crambin: 001.67 (s) cd qmmm2/crambin_2 && ./Run.crambin_md_calc_mulliken: 001.60 (s) cd tgtmd/change_target.rms && ./Run.tgtmd: 001.59 (s) cd mtmdtest && ./Run.mtmdtest : 001.57 (s) cd 4096wat && ./Run.frcdmp : 001.57 (s) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake_qmshakeoff: 001.56 (s) cd rdc && ./Run.nmr : 001.55 (s) cd variable_14 && ./Run.variable_14_ntb1: 001.54 (s) cd qmmm2/crambin_2 && ./Run.crambin_md: 001.52 (s) cd idecomp1 && ./run_idecomp1.sh: 001.52 (s) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake_qmshakeoff: 001.51 (s) cd tgtmd/change_target && ./Run.tgtmd: 001.47 (s) cd amoeba_wat1 && ./Run.amoeba_wat1: 001.40 (s) cd nonper && ./Run.cap : 001.38 (s) cd sebomd/method3/ethanol_and_water && ./min.csh && ./md.csh: 001.37 (s) cd mdgx/1p7e && ./Test.1p7e : 001.36 (s) cd qmmm2/xcrd_build_test/ && ./Run.truncoct_qmewald0: 001.34 (s) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md: 001.33 (s) cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_imaged: 001.32 (s) cd gb_rna && ./Run.gbrna.ln : 001.32 (s) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake: 001.29 (s) cd sebomd/PM3/water1 && ./min.csh && ./md.csh: 001.28 (s) cd qmmm2/xcrd_build_test/ && ./Run.ortho_qmewald0: 001.27 (s) cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_noimage: 001.24 (s) cd mdgx/AddEP && ./Test.addep : 001.24 (s) cd rdc && ./Run.nef : 001.23 (s) cd amoeba_wat1 && ./Run.amoeba_wat1.ips: 001.20 (s) cd umbrella && ./Run.umbrella : 001.19 (s) cd amoeba_formbox && ./Run.amoeba_formbox: 001.17 (s) cd qmmm2/cysdip/ && ./Run.mndod.min: 001.16 (s) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake: 001.15 (s) cd sebomd/PM3/dimethylether && ./min.csh && ./md.csh: 001.09 (s) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md: 001.06 (s) cd mdgx/MLE && ./Test.mle : 001.06 (s) cd mdgx/Settle && ./Test.settle : 001.05 (s) cd qmmm2/cysdip/ && ./Run.mndod.md: 001.05 (s) cd pcsa && ./Run.csa_min : 001.03 (s) cd nonper && ./Run.nonper.nocut : 001.03 (s) cd mdgx/NVTwat && ./Test.nvtwat : 001.03 (s) cd pcsa && ./Run.csa : 001.00 (s) cd ./sqm/external_charges && ./Run: 000.97 (s) cd pcsa && ./Run.dip : 000.97 (s) cd ./sqm/fecp2 && ./Run : 000.97 (s) cd PIMD/part_nmpimd_helium && ./Run.nmpimd: 000.96 (s) cd resp && ./Run.ade : 000.95 (s) cd PIMD/part_pimd_helium && ./Run.pimd: 000.94 (s) cd pcsa && ./Run.csa2 : 000.92 (s) cd amoeba_formbox && ./Run.amoeba_formbox.ips: 000.92 (s) cd rdc && ./Run.dip : 000.87 (s) cd nonper && ./Run.egb6 : 000.85 (s) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap: 000.85 (s) cd tgtmd/PME && ./Run.tgtPME : 000.83 (s) cd gb_rna && ./Run.gbrna : 000.83 (s) cd sander_pbsa_radi && ./Run.ion.min: 000.80 (s) cd LES_CUT && ./Run.LES : 000.79 (s) cd tip5p && ./Run.tip5p_nve : 000.79 (s) cd gbneck2nu/modified_nu/3p4a/ && ./Run.3p4a: 000.78 (s) cd rism3d/ala && ./Run.ala.pse1 : 000.77 (s) cd qmmm2/tip3p_cap && ./Run.tip3p_cap: 000.75 (s) cd qmmm2/lysine_PM3_calc_dipole && ./Run.lysine: 000.74 (s) cd parmed/change_parms && ./Run.parmed: 000.72 (s) cd tip5p && ./Run.tip5p : 000.70 (s) cd rism3d/ala && ./Run.ala.imin5: 000.65 (s) cd ./sqm/h2s && ./Run : 000.64 (s) cd gbsa_xfin && ./Run.gbsa : 000.62 (s) cd qmmm2/lysine_AM1 && ./Run.lysine_md: 000.62 (s) cd sebomd/PIF2/dimethylether && ./min.csh && ./md.csh: 000.59 (s) cd tgtmd/minimize && ./Run.tgtmin: 000.58 (s) cd mdgx/ForceCalc && ./Test.frcc: 000.58 (s) cd tip4p && ./Run.tip4p_nve : 000.57 (s) cd qmmm2/input_validation && ./Run.non_unique_qm_atoms: 000.57 (s) cd rism3d/ala && ./Run.ala.list : 000.56 (s) cd qmmm2/pure_QM_MD_PDDGMNDO && ./Run.C6H4FCL_md: 000.56 (s) cd nonper && ./Run.nonper : 000.52 (s) cd ./sqm/dhplus && ./Run : 000.51 (s) cd qmmm2/lysine_PM3_calc_dipole && ./Run.lysine_md: 000.48 (s) cd qmmm2/pure_QM_MD && ./Run.C6H4FCL_md: 000.44 (s) cd qmmm2/pure_QM_MD_MNDO && ./Run.C6H4FCL_md: 000.43 (s) cd xtalutil/UnitCell && make : 000.43 (s) cd sebomd/PIF3/ethanol_and_water && ./min.csh && ./md.csh: 000.42 (s) cd mdgx/Torsion && ./Test.torsion: 000.42 (s) cd LES_GB && ./Run.LES : 000.41 (s) cd reduce && ./Run.reduce : 000.39 (s) cd polarizable_water && ./Run.pol_wat: 000.37 (s) cd sebomd/PIF2/ethanol_and_water && ./min.csh && ./md.csh: 000.36 (s) cd qmmm2/pure_QM_MD_NUMER_DERIV && ./Run.nma_md_qmgb2_saltcon: 000.34 (s) cd qmmm2/pure_QM_MD_NUMER_DERIV && ./Run.nma_md_qmgb2: 000.33 (s) cd cytosine && ./Run.cytosine : 000.33 (s) cd nonper && ./Run.nonper.min : 000.32 (s) cd sebomd/MNDO/dimethylether && ./min.csh && ./md.csh: 000.32 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine_md: 000.31 (s) cd mdgx/TIP4P && ./Test.tip4p : 000.31 (s) cd LES_noPME && ./Run.LESmd : 000.31 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_qmgb2: 000.31 (s) cd nonper && ./Run.nonper.belly.mask: 000.31 (s) cd tip4p && ./Run.tip4p : 000.30 (s) cd nonper && ./Run.nonper.belly : 000.30 (s) cd qmmm2/pure_QM_MD_RM1 && ./Run.C6H4FCL_md: 000.30 (s) cd qmmm_DFTB/pure_QM_MD_tight_p_DFTB && ./Run.nma: 000.30 (s) cd qmmm2/pure_QM_MD_AM1 && ./Run.C6H4FCL_md: 000.29 (s) cd ./sqm/ch3f && ./Run : 000.29 (s) cd qmmm2/pure_QM_MD_NUMER_DERIV && ./Run.nma_md_qmgb0: 000.27 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma_disp: 000.27 (s) cd sebomd/AM1/dimethylether && ./min.csh && ./md.csh: 000.27 (s) cd tgtmd/change_target.ntr && ./Run.tgtmd: 000.27 (s) cd gbnsr6 && ./Run.gbnsr6.min : 000.27 (s) cd sebomd/AM1D/dimethylether && ./min.csh && ./md.csh: 000.26 (s) cd LES_noPME && ./Run.LESmd.rdiel: 000.26 (s) cd sebomd/RM1/dimethylether && ./min.csh && ./md.csh: 000.25 (s) cd qmmm2/pure_QM_MD_AM1 && ./Run.nma_md: 000.25 (s) cd qmmm2/pure_QM_MD_PDDGMNDO && ./Run.nma_md: 000.24 (s) cd sebomd/MinimumImage/Water2 && ./md.csh: 000.24 (s) cd qmmm2/pure_QM_MD_AM1 && ./Run.nma: 000.24 (s) cd ti_mass/pent_LES_PIMD && ./Run.pentadiene: 000.23 (s) cd sebomd/PIF3/doublewater && ./min.csh && ./md.csh: 000.23 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_qmgb2_saltcon: 000.23 (s) cd noesy && ./Run.noesy : 000.23 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma_md_qmgb0: 000.22 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma_md: 000.22 (s) cd qmmm2/pure_QM_MD_MNDO && ./Run.nma: 000.22 (s) cd qmmm_DFTB/pure_QM_MD_shake_DFTB && ./Run.nma_md: 000.22 (s) cd qmmm2/pure_QM_MD_NUMER_DERIV && ./Run.nma: 000.21 (s) cd qmmm_DFTB/pure_QM_MD_tight_p_DFTB && ./Run.nma_md: 000.21 (s) cd gb_rna && ./Run.gbrna.min : 000.21 (s) cd qmmm2/pure_QM_MD_tight_p && ./Run.nma: 000.21 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma: 000.21 (s) cd qmmm2/pure_QM_MD_PDDGPM3_08 && ./Run.nma_md: 000.21 (s) cd qmmm2/pure_QM_MD_AM1_ADDMM && ./Run.nma: 000.21 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma_md_qmgb2: 000.21 (s) cd ./sqm/c2h2 && ./Run : 000.20 (s) cd qmmm2/pure_QM_MD_RM1 && ./Run.nma_md: 000.20 (s) cd qmmm2/pure_QM_MD_PDDGPM3 && ./Run.nma_md: 000.20 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_qmgb0: 000.20 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma_md_qmgb1: 000.20 (s) cd qmmm_DFTB/pure_QM_MD_DFTB && ./Run.nma_md_qmgb2_saltcon: 000.20 (s) cd sebomd/AM1/water1 && ./min.csh && ./md.csh: 000.19 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md: 000.19 (s) cd LES_TEMP && ./Run.2temp : 000.19 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_qmgb1: 000.19 (s) cd ./sqm/znh+ && ./Run : 000.19 (s) cd qmmm2/pure_QM_MD_PM6 && ./Run.nma: 000.19 (s) cd qmmm2/pure_QM_MD_NUMER_DERIV && ./Run.nma_md: 000.19 (s) cd qmmm2/pure_QM_MD_tight_p && ./Run.nma_md: 000.19 (s) cd qmmm2/pure_QM_MD_PDDGMNDO && ./Run.nma: 000.19 (s) cd sebomd/PIF2/water1 && ./min.csh && ./md.csh: 000.19 (s) cd qmmm2/pure_QM_MD_PDDGPM3 && ./Run.nma: 000.18 (s) cd qmmm2/pure_QM_MD_MNDO && ./Run.nma_md: 000.18 (s) cd qmmm2/pure_QM_MD_PDDGPM3_08 && ./Run.nma: 000.18 (s) cd qmmm2/pure_QM_MD_RM1 && ./Run.nma: 000.18 (s) cd qmmm2/pure_QM_MD_AM1_ADDMM && ./Run.nma_md: 000.18 (s) cd qmmm2/pure_QM_MD && ./Run.nma: 000.18 (s) cd sebomd/PIF3/water1 && ./min.csh && ./md.csh: 000.18 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_0: 000.18 (s) cd sebomd/MNDO/water1 && ./min.csh && ./md.csh: 000.17 (s) cd sebomd/PIF2/doublewater && ./min.csh && ./md.csh: 000.17 (s) cd qmmm2/pure_QM_MD_shake && ./Run.nma_md: 000.17 (s) cd gb_rna && ./Run.gbrna.ips : 000.17 (s) cd qmmm2/pure_QM_MD_PM6 && ./Run.nma_md: 000.17 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_4: 000.16 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_qmgb3: 000.15 (s) cd PIMD/part_nmpimd_water && ./Run.nmpimd: 000.14 (s) cd sebomd/AM1D/water1 && ./min.csh && ./md.csh: 000.14 (s) cd bintraj && ./Run.bintraj $AMBERHOME/include/netcdf.mod: 000.14 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_2: 000.14 (s) cd newton_raph && ./Run.newton_raph: 000.14 (s) cd qmmm2/znme2/ && ./Run.min : 000.14 (s) cd sander_pbsa_dmp && ./Run.dmp.min: 000.13 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_5: 000.13 (s) cd dhfr && ./Run.dhfr.noboxinfo : 000.12 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_3: 000.12 (s) cd plane_plane_restraint && ./Run.dinuc_pln: 000.12 (s) cd sebomd/AM1D/nucleoside && ./min.csh && ./md.csh: 000.12 (s) cd qmmm_DFTB/lysine_DFTB_qmgb0 && ./Run.lysine_md: 000.12 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_6: 000.12 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine_md_igb5: 000.12 (s) cd qmmm_DFTB/lysine_DFTB_calc_mulliken && ./Run.lysine: 000.12 (s) cd qmmm2/znme2/ && ./Run.md : 000.12 (s) cd qmmm_DFTB/lysine_DFTB && ./Run.lysine_md: 000.12 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md_adjust_q1: 000.11 (s) cd qmmm_DFTB/dftb3/water && ./Run.h2o.md: 000.11 (s) cd qmmm2/lysine_PM3 && ./Run.lysine_md_qmmm_int0: 000.11 (s) cd qmmm2/lysine_PM3_calc_mulliken && ./Run.lysine_md: 000.11 (s) cd qmmm2/pure_QM_MD && ./Run.nma_md_diag_routine_7: 000.11 (s) cd qmmm2/lysine_PM6 && ./Run.lysine_md: 000.10 (s) cd qmmm_DFTB/lysine_DFTB && ./Run.lysine: 000.10 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2_alpb && ./Run.lysine_md: 000.10 (s) cd mdgx/QFit && ./Test.qfit : 000.10 (s) cd qmmm_DFTB/lysine_DFTB_calc_mulliken && ./Run.lysine_md: 000.10 (s) cd qmmm_DFTB/lysine_DFTB && ./Run.lysine_md_qmmm_int0: 000.10 (s) cd qmmm2/lysine_PM3 && ./Run.lysine_md: 000.10 (s) cd variable_14 && ./Run.variable_14_igb1: 000.10 (s) cd plane_plane_restraint && ./Run.dinuc_plpt: 000.10 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine_md_igb7: 000.10 (s) cd qmmm2/lysine_PM3_qmgb2_alpb && ./Run.lysine_md: 000.10 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine_md_igb2: 000.10 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine: 000.10 (s) cd qmmm2/lysine_MNDO && ./Run.lysine: 000.10 (s) cd qmmm2/lysine_PM6 && ./Run.lysine: 000.10 (s) cd qmmm2/lysine_PM3_qmgb0 && ./Run.lysine_md: 000.10 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine_md_adjust_q2: 000.10 (s) cd sebomd/RM1/water1 && ./md.csh: 000.10 (s) cd qmmm2/lysine_PM3 && ./Run.lysine_md_lnk_method2: 000.09 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md_igb2: 000.09 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md_igb5: 000.09 (s) cd qmmm_DFTB/lysine_DFTB_qmgb0 && ./Run.lysine: 000.09 (s) cd qmmm2/lysine_PM3 && ./Run.lysine_md_qmmm_int2: 000.09 (s) cd qmmm2/lysine_AM1 && ./Run.lysine: 000.09 (s) cd qmmm_DFTB/dftb3/water && ./Run.h2o.go: 000.09 (s) cd qmmm2/lysine_PM3_calc_mulliken && ./Run.lysine: 000.09 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md_adjust_q2: 000.09 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine_md_adjust_q1: 000.09 (s) cd qmmm_DFTB/lysine_DFTB && ./Run.lysine_md_lnk_dis_neg: 000.09 (s) cd qmmm_DFTB/lysine_DFTB && ./Run.lysine_md_lnk_method2: 000.09 (s) cd qmmm2/lysine_PM3 && ./Run.lysine_md_lnk_dis_neg: 000.09 (s) cd qmmm_DFTB/lysine_DFTB_qmgb2 && ./Run.lysine: 000.08 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md_igb7: 000.08 (s) cd qmmm2/lysine_MNDO && ./Run.lysine_md: 000.08 (s) cd qmmm2/lysine_PM3_qmgb0 && ./Run.lysine: 000.08 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md: 000.08 (s) cd qmmm2/lysine_PM3 && ./Run.lysine: 000.08 (s) cd qmmm2/lysine_PM3_qmgb2 && ./Run.lysine_md_lnk_dis_neg: 000.08 (s) cd adenine && ./Run.adenine : 000.08 (s) cd qmmm2/lysine_PM3_calc_dipole && ./Run.lysine_qmmm: 000.08 (s) cd dmp && ./Run.dmp : 000.06 (s) cd elsize && ./Run.elsize : 000.05 (s) cd qmmm2/input_validation && ./Run.invalid_atom_ids: 000.05 (s) cd qmmm2/pure_QM_MD_PDDGPM3 && ./Run.C6H4FCL_md: 000.03 (s) cd qmmm_EXTERN/pure_QM_MD_GAMESS && ./Run.h2o.template.bp86_631g: 000.02 (s) cd qmmm_EXTERN/pure_QM_MD_Orca && ./Run.h2o.template.blyp_631g: 000.02 (s) cd qmmm_EXTERN/QMMM_MD_ADF && ./Run.aladip.blyp_dz.MechEm: 000.02 (s) cd qmmm_EXTERN/QMMM_MD_MRCC && ./Run.nmaspcfw15.hf_sto3g: 000.02 (s) cd qmmm2/cysdip/ && ./Run.mndodmm.min: 000.02 (s) cd qmmm_EXTERN/QMMM_Lio/water && ./Run.td.water: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_TeraChem && ./Run.h2o.template.blyp_631g: 000.01 (s) cd qmmm_EXTERN/QMMM_Lio/water && ./Run.water: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_ADF && ./Run.h2o.dftb_md: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_GAUSSIAN && ./Run.h2o.blyp_sto3g_md: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_NWChem && ./Run.h2o.blyp_sto3g: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_ADF && ./Run.h2o.dftb: 000.01 (s) cd sebomd/RM1/nmethylacetamide && ./min.csh && ./md.csh: 000.01 (s) cd rism3d/phosphate && ./Run.ph1nacl.pse3: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_MRCC && ./Run.h2o.template.blyp_sto3g: 000.01 (s) cd csurften && ./Run.csurften_zdir_npt_3: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_TeraChem && ./Run.aladip.hf_sto3g.MechEm: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_TeraChem && ./Run.h2o.blyp_631g: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_ADF && ./Run.h2o.ldasz_md: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_Orca && ./Run.nmaspcfw15.hf_sto3g.MechEm: 000.01 (s) cd rism3d/phosphate && ./Run.ph1nacl: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_NWChem && ./Run.aladip.hf_sto3g: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_Orca && ./Run.aladip.hf_sto3g.MechEm: 000.01 (s) cd nmode && ./Run.aladipeptide_rgroup: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_MRCC && ./Run.h2o.hf_sto3g: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_TeraChem && ./Run.nmaspcfw15.hf_sto3g: 000.01 (s) cd nfe && ./runserial.sh : 000.01 (s) cd qmmm_EXTERN/QMMM_MD_Orca && ./Run.nmaspcfw15.hf_sto3g: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_TeraChem && ./Run.h2o.blyp_631g_md: 000.01 (s) cd qmmm2/PM3MMX2 && ./Run.crambin_md_pm3mmx2: 000.01 (s) cd qmmm_DFTB/3rdorder/water && ./Run.water: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_Orca && ./Run.h2o.blyp_631g: 000.01 (s) cd sebomd/PM3/nmethylacetamide && ./min.csh && ./md.csh: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_TeraChem && ./Run.nmaspcfw15.hf_sto3g.MechEm: 000.01 (s) cd qmmm_EXTERN/QMMM_MD_MRCC && ./Run.aladip.hf_sto3g: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_GAUSSIAN && ./Run.h2o.template.blyp_sto3g: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_ADF && ./Run.h2o.ldasz: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_Orca && ./Run.h2o.blyp_631g_md: 000.01 (s) cd lj_1264 && ./Run.1264 : 000.01 (s) cd qmmm2/12ethanediol_PM3CARB1 && ./Run.PM3CARB1_md: 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_GAUSSIAN && ./Run.h2o.blyp_sto3g: 000.01 (s) cd nmode && ./Run.aladipeptide : 000.01 (s) cd qmmm_EXTERN/pure_QM_MD_NWChem && ./Run.h2o.blyp_sto3g_md: 000.00 (s) cd qmmm_DFTB/3rdorder/ala8 && ./Run.ala8_PR: 000.00 (s) cd rism3d/phosphate && ./Run.ph1nacl.pse1: 000.00 (s) cd qmmm2/cysdip/ && ./Run.mndodmm.md: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_QChem && ./Run.h2o.template.blyp_sto3g: 000.00 (s) cd qmmm2/PM3MMX2 && ./Run.water_dimer.x: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_QChem && ./Run.aladip.hf_sto3g.MechEm: 000.00 (s) cd qmmm_DFTB/3rdorder/ala8 && ./Run.ala8_PR: 000.00 (s) cd qmmm2/meohnh3_PM6DH+ && ./Run.meohnh3_md: 000.00 (s) # cd sebomd/RM1/water1 && ./min.csh && ./md.csh: 000.00 (s) cd sebomd/EwaldCM1/Water2 && ./md.csh: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_QChem && ./Run.nmaspcfw15.hf_sto3g: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_QChem && ./Run.aladip.hf_sto3g: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_QChem && ./Run.nmaspcfw15.hf_sto3g.MechEm: 000.00 (s) cd sebomd/EwaldMulliken/Water2 && ./md.csh: 000.00 (s) cd qmmm2/PM3MAIS && ./Run.hcl_wat: 000.00 (s) cd qmmm2/PM3MMX2 && ./Run.ammonia_dimer.x: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_TeraChem && ./Run.aladip.hf_sto3g: 000.00 (s) cd qmmm2/PM3MMX && ./Run.water_dimer.x: 000.00 (s) cd qmmm2/PM3MMX2 && ./Run.formic_acid_dimer.x: 000.00 (s) cd qmmm2/meohnh3_PM6DH+ && ./Run.meohnh3: 000.00 (s) cd qmmm2/PM3MMX && ./Run.crambin_md_pm3mmx: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_ADF && ./Run.h2o.template.ldasz: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_GAUSSIAN && ./Run.aladip.hf_sto3g: 000.00 (s) cd qmmm_DFTB/3rdorder/ala8 && ./Run.ala8_PA: 000.00 (s) cd sebomd/MNDO/nmethylacetamide && ./min.csh && ./md.csh: 000.00 (s) cd sebomd/AM1/nmethylacetamide && ./min.csh && ./md.csh: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_GAMESS && ./Run.h2o.bp86_631g: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_MRCC && ./Run.h2o.blyp_631g_md: 000.00 (s) cd qmmm2/PM3MMX && ./Run.ammonia_dimer.x: 000.00 (s) cd qmmm_DFTB/3rdorder/water && ./Run.water_read_mdin: 000.00 (s) cd qmmm_DFTB/3rdorder/ala8 && ./Run.ala8_PA: 000.00 (s) cd csurften && ./Run.csurften_zdir: 000.00 (s) cd qmmm_DFTB/dftb3/nmah2obox && ./Run.nmaspcfw15.md: 000.00 (s) cd qmmm2/PM3MAIS && ./Run.zundel: 000.00 (s) cd qmmm2/PM3MMX && ./Run.formic_acid_dimer.x: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_GAMESS && ./Run.h2o.bp86_631g_md: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_GAUSSIAN && ./Run.nmaspcfw15.hf_sto3g: 000.00 (s) cd sebomd/AM1D/nmethylacetamide && ./min.csh && ./md.csh: 000.00 (s) cd rism3d/phosphate && ./Run.ph10nacl: 000.00 (s) cd qmmm2/PM3MMX2 && ./Run.methanethiol.x: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_Orca && ./Run.aladip.hf_sto3g: 000.00 (s) cd qmmm2/MechEm_nmaspcfwbox && ./Run.MechEm_PDDGPM3: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_QChem && ./Run.h2o.blyp_631g_md: 000.00 (s) cd qmmm_DFTB/3rdorder/water && ./Run.water_read_file: 000.00 (s) cd sebomd/EwaldConstantCharge/Water2 && ./md.csh: 000.00 (s) cd qmmm_EXTERN/pure_QM_MD_QChem && ./Run.h2o.hf_sto3g: 000.00 (s) cd qmmm2/MechEm_nmaspcfwbox && ./Run.MechEm_DFTB: 000.00 (s) cd qmmm_EXTERN/QMMM_MD_ADF && ./Run.nmaspcfw15.blyp_dz.MechEm: 000.00 (s)