Sure ... please go ahead.
Ray
--
Ray Luo, Ph.D.
Professor
Biochemistry, Molecular Biophysics, Chemical Physics,
Chemical and Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Thu, May 26, 2016 at 3:14 PM, Gerald Monard
<Gerald.Monard.univ-lorraine.fr> wrote:
> OK. If you like it, I let you push the changes in the master tree.
> All the best,
>
> Gerald.
>
> On 05/26/2016 11:56 PM, Ray Luo wrote:
>> Thanks again!
>>
>> Ray
>> --
>> Ray Luo, Ph.D.
>> Professor
>> Biochemistry, Molecular Biophysics, Chemical Physics,
>> Chemical and Biomedical Engineering
>> University of California, Irvine, CA 92697-3900
>>
>>
>> On Thu, May 26, 2016 at 2:34 PM, Gerald Monard
>> <Gerald.Monard.univ-lorraine.fr> wrote:
>>> Ray,
>>>
>>> pbsa.SANDER.o (and parms.SANDER.o) should not be compiled (sorry).
>>> Can you apply this new patch?
>>>
>>> Gerald.
>>>
>>>
>>> On 05/26/2016 11:17 PM, Ray Luo wrote:
>>>>
>>>> Gerald,
>>>>
>>>> Thanks a lot! I'm testing with a "configure -mpi gnu" build in 16
>>>> threads. Here are the error messages when building "libFpbsa.a".
>>>>
>>>> All the best,
>>>> Ray
>>>>
>>>> ++++
>>>>
>>>> cd ../pbsa && make libFpbsa.a
>>>> make[3]: Entering directory
>>>> `/home/rayl/amber-master-fresh1/AmberTools/src/pbsa'
>>>> /bin/rm -f decomp.o decomp.mod DECOMP.mod
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -o density.o density.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -o gen_dx_file.o
>>>> gen_dx_file.F90
>>>> cd ../sander && make decomp.o
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -I../sander \
>>>> -o interpX.SANDER.o interpX.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -I../sander \
>>>> -o timer.SANDER.o timer.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -o decomp.o decomp.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -I../sander \
>>>> -o parms.SANDER.o parms.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -o sa_driver.o
>>>> sa_driver.F90
>>>> make[4]: Entering directory
>>>> `/home/rayl/amber-master-fresh1/AmberTools/src/sander'
>>>> make[4]: `decomp.o' is up to date.
>>>> make[4]: Leaving directory
>>>> `/home/rayl/amber-master-fresh1/AmberTools/src/sander'
>>>> cp -p ../sander/decomp.o ../pbsa
>>>> cp -p ../sander/decomp.mod ../pbsa
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -I../sander \
>>>> -o sa_driver.SANDER.o sa_driver.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -I../sander \
>>>> -o pb_p3m.SANDER.o pb_p3m.F90
>>>> mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
>>>> -ffree-form -I/home/rayl/amber-master-fresh1/include
>>>> -I/home/rayl/amber-master-fresh1/include -I../sander \
>>>> -o pbsa.SANDER.o pbsa.F90
>>>> pbsa.F90:88.49:
>>>>
>>>> use parms, only : allocate_parms, clean_parms, bcast_parms, cn1, cn2
>>>>
>>>> 1
>>>> Error: Symbol 'bcast_parms' referenced at (1) not found in module 'parms'
>>>> make[3]: *** [pbsa.SANDER.o] Error 1
>>>> make[3]: *** Waiting for unfinished jobs....
>>>> make[3]: Leaving directory
>>>> `/home/rayl/amber-master-fresh1/AmberTools/src/pbsa'
>>>> make[2]: *** [libpbsa] Error 2
>>>> make[2]: Leaving directory
>>>> `/home/rayl/amber-master-fresh1/AmberTools/src/sander'
>>>> make[1]: *** [parallel] Error 2
>>>> make[1]: Leaving directory `/home/rayl/amber-master-fresh1/AmberTools/src'
>>>> make: *** [install] Error 2
>>>>
>>>> --
>>>> Ray Luo, Ph.D.
>>>> Professor
>>>> Biochemistry, Molecular Biophysics, Chemical Physics,
>>>> Chemical and Biomedical Engineering
>>>> University of California, Irvine, CA 92697-3900
>>>>
>>>>
>>>> On Thu, May 26, 2016 at 1:53 PM, Gerald Monard
>>>> <Gerald.Monard.univ-lorraine.fr> wrote:
>>>>>
>>>>> Ray,
>>>>>
>>>>> The patch was generated with git format-patch, so you should use git am
>>>>> instead of git apply.
>>>>>
>>>>> Gerald.
>>>>>
>>>>> On 05/26/2016 10:49 PM, Ray Luo wrote:
>>>>>>
>>>>>> Gerald,
>>>>>>
>>>>>> Somehow I got the following error messages when applying it ...
>>>>>>
>>>>>> git apply
>>>>>> ~/0001-libFpbsa-PBSA-library-for-sander-dependency-modifica.patch
>>>>>>
>>>>>> /home/rayl/0001-libFpbsa-PBSA-library-for-sander-dependency-modifica.patch:32:
>>>>>> trailing whitespace.
>>>>>> # in alphabetical order (GM/2016-05-26)
>>>>>>
>>>>>> /home/rayl/0001-libFpbsa-PBSA-library-for-sander-dependency-modifica.patch:33:
>>>>>> trailing whitespace.
>>>>>> SANDERPBSAOBJS= curv.o density.o dsvdc.o gen_dx_file.o GrToPr.o \
>>>>>>
>>>>>> /home/rayl/0001-libFpbsa-PBSA-library-for-sander-dependency-modifica.patch:34:
>>>>>> trailing whitespace.
>>>>>> iimod.o interpX.SANDER.o memory_module.o miniop.o
>>>>>> np_force.SANDER.o \
>>>>>>
>>>>>> /home/rayl/0001-libFpbsa-PBSA-library-for-sander-dependency-modifica.patch:35:
>>>>>> trailing whitespace.
>>>>>> parms.SANDER.o pb_bldsys.o pb_crgview.o pb_direct.o pb_fddrv.o
>>>>>> \
>>>>>>
>>>>>> /home/rayl/0001-libFpbsa-PBSA-library-for-sander-dependency-modifica.patch:36:
>>>>>> trailing whitespace.
>>>>>> pb_fdfrc.SANDER.o pb_force.SANDER.o pb_init.SANDER.o pb_list.o
>>>>>> pb_lsolver.o \
>>>>>> error: patch failed: AmberTools/src/pbsa/Makefile:67
>>>>>> error: AmberTools/src/pbsa/Makefile: patch does not apply
>>>>>> error: patch failed: AmberTools/src/pbsa/depend:37
>>>>>> error: AmberTools/src/pbsa/depend: patch does not apply
>>>>>> error: patch failed: AmberTools/src/pbsa/makedepend:16
>>>>>> error: AmberTools/src/pbsa/makedepend: patch does not apply
>>>>>>
>>>>>> All the best,
>>>>>> Ray
>>>>>> --
>>>>>> Ray Luo, Ph.D.
>>>>>> Professor
>>>>>> Biochemistry, Molecular Biophysics, Chemical Physics,
>>>>>> Chemical and Biomedical Engineering
>>>>>> University of California, Irvine, CA 92697-3900
>>>>>>
>>>>>>
>>>>>> On Thu, May 26, 2016 at 1:30 PM, Ray Luo <rluo.uci.edu> wrote:
>>>>>>>
>>>>>>> Gerald,
>>>>>>>
>>>>>>> Will try your patch next ...
>>>>>>>
>>>>>>> Ray
>>>>>>> --
>>>>>>> Ray Luo, Ph.D.
>>>>>>> Professor
>>>>>>> Biochemistry, Molecular Biophysics, Chemical Physics,
>>>>>>> Chemical and Biomedical Engineering
>>>>>>> University of California, Irvine, CA 92697-3900
>>>>>>>
>>>>>>>
>>>>>>> On Thu, May 26, 2016 at 1:18 PM, Gerald Monard
>>>>>>> <Gerald.Monard.univ-lorraine.fr> wrote:
>>>>>>>>
>>>>>>>> Ray, Dan (+any volunteer): can you try (and test) that patch?
>>>>>>>>
>>>>>>>> I can do the same for LIBPBSA dependencies...;-)
>>>>>>>>
>>>>>>>> Gerald.
>>>>>>>>
>>>>>>>>
>>>>>>>> On 05/26/2016 09:41 PM, Gerald Monard wrote:
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> Ray,
>>>>>>>>>
>>>>>>>>> Yes, my mistake: pb_force.o has a dependency for sa_driver.o.
>>>>>>>>> But it's weirder(?) than this: if I track the compilation, a problem
>>>>>>>>> appears for libFpbsa.a (pbsa library for sander). I can see this (in
>>>>>>>>> serial order):
>>>>>>>>>
>>>>>>>>> gfortran [...] -DSANDER [...] -I../sander \ -o sa_driver.SANDER.o
>>>>>>>>> sa_driver.F90
>>>>>>>>> gfortran [...] -DSANDER [...] -I../sander \ -o pb_force.SANDER.o
>>>>>>>>> pb_force.F90
>>>>>>>>> gfortran [...] -DSANDER [...] -I../sander \ -o pb_p3m.SANDER.o
>>>>>>>>> pb_p3m.F90
>>>>>>>>> gfortran [...] -DSANDER [...] -I../sander \ -o interpX.SANDER.o
>>>>>>>>> interpX.F90
>>>>>>>>> gfortran [...] [...] -o pb_force.o pb_force.F90
>>>>>>>>> gfortran [...] [...] -o pb_direct.o pb_direct.F90
>>>>>>>>>
>>>>>>>>> It means that pb_force is compiled twice (thus the error for the
>>>>>>>>> parallel make: pb_direct needs pb_force that needs sa_driver which
>>>>>>>>> will
>>>>>>>>> create the solvent_accessibility module; while pb_force.SANDER.o
>>>>>>>>> needs
>>>>>>>>> sa_driver.SANDER.o that will create the solvent_accessibility
>>>>>>>>> module!).
>>>>>>>>>
>>>>>>>>> Origin: makedepend has a definition for pb_direct.SANDER.o, but
>>>>>>>>> Makefile
>>>>>>>>> compiles pb_direct.o as requested by SANDERPBSAOBJS.
>>>>>>>>> Two options
>>>>>>>>> 1) It should be said pb_direct.SANDER.o in the Makefile (to be
>>>>>>>>> consistent with makedepend)
>>>>>>>>> 2) makedepend should not contain the $SANDER{"pb_direct"} directive
>>>>>>>>> (to
>>>>>>>>> be consistent with Makefile)
>>>>>>>>>
>>>>>>>>> I'm checking the discrepancy between Makefile and makedepend and will
>>>>>>>>> commit a patch asap.
>>>>>>>>>
>>>>>>>>> Ray: you know more than me what is needed: to patch Makefile or to
>>>>>>>>> patch
>>>>>>>>> makedepend? (I guess it depends where #ifdef SANDER are present)
>>>>>>>>>
>>>>>>>>> Gerald.
>>>>>>>>>
>>>>>>>>> On 05/26/2016 09:21 PM, Ray Luo wrote:
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> Gerald,
>>>>>>>>>>
>>>>>>>>>> Somehow in my "depend", as generated by "makedepend", "pb_force.o"
>>>>>>>>>> lists "sa_driver.o" as one of the depends in all three cases, i.e.
>>>>>>>>>> for
>>>>>>>>>> PBSA, SANDER, and LIBPBSA ... I suppose "makedepend" is okay?
>>>>>>>>>>
>>>>>>>>>> All the best,
>>>>>>>>>> Ray
>>>>>>>>>> --
>>>>>>>>>> Ray Luo, Ph.D.
>>>>>>>>>> Professor
>>>>>>>>>> Biochemistry, Molecular Biophysics, Chemical Physics,
>>>>>>>>>> Chemical and Biomedical Engineering
>>>>>>>>>> University of California, Irvine, CA 92697-3900
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> On Thu, May 26, 2016 at 11:31 AM, Gerald Monard
>>>>>>>>>> <Gerald.Monard.univ-lorraine.fr> wrote:
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> Hello,
>>>>>>>>>>>
>>>>>>>>>>> FYI, based on Dan's error report: pbsa/pb_force.F90 needs the
>>>>>>>>>>> solvent_accessibility module from sa_driver.F90, but makedepend
>>>>>>>>>>> does not
>>>>>>>>>>> recognize this dependency. So if you're lucky the first one get
>>>>>>>>>>> compiled
>>>>>>>>>>> before the second one (the files are in "correct" order in the
>>>>>>>>>>> Makefile), if not, then you're doomed for a compile error.
>>>>>>>>>>>
>>>>>>>>>>> Gerald.
>>>>>>>>>>>
>>>>>>>>>>> On 05/26/2016 07:37 PM, Gerald Monard wrote:
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>> Hello,
>>>>>>>>>>>>
>>>>>>>>>>>> This issue was raised some weeks/months ago (see thread
>>>>>>>>>>>> [AMBER-Developers] Sander parallel build broken by PBSA updates).
>>>>>>>>>>>> If
>>>>>>>>>>>> it's still the same problem, it's a dependency problem in PBSA
>>>>>>>>>>>> (makedepend not making its work correctly). You can't see it with
>>>>>>>>>>>> make
>>>>>>>>>>>> -j1 and it's a random problem with make -jX (X>1).
>>>>>>>>>>>> I (partially) solved it last time. I'll check into it asap.
>>>>>>>>>>>>
>>>>>>>>>>>> Gerald.
>>>>>>>>>>>>
>>>>>>>>>>>> On 05/26/2016 07:23 PM, Ray Luo wrote:
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>> First thing first, I always "git clean -xfd" before rebuilding.
>>>>>>>>>>>>> I'll
>>>>>>>>>>>>> try
>>>>>>>>>>>>> different thead values to see whether I can reproduce the
>>>>>>>>>>>>> problem.
>>>>>>>>>>>>>
>>>>>>>>>>>>> Also all object files for sander are separately defined and built
>>>>>>>>>>>>> so
>>>>>>>>>>>>> this
>>>>>>>>>>>>> could be something higher up.
>>>>>>>>>>>>>
>>>>>>>>>>>>> Ray
>>>>>>>>>>>>> On May 26, 2016 10:04 AM, "Daniel Roe" <daniel.r.roe.gmail.com>
>>>>>>>>>>>>> wrote:
>>>>>>>>>>>>>
>>>>>>>>>>>>> On Thu, May 26, 2016, Ray Luo wrote:
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Okay, I've just confirmed again that I can
>>>>>>>>>>>>>> make -j 32 install
>>>>>>>>>>>>>> if I turned off python building. I don't know too much how the
>>>>>>>>>>>>>> python
>>>>>>>>>>>>>> part is built ... Please take a look of the dependence relations
>>>>>>>>>>>>>> related to python building.
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>> Nope - still fails for me with '--skip-python'. It's almost
>>>>>>>>>>>>> certainly
>>>>>>>>>>>>> an issue with pbsa/libpbsa dependencies since that is where the
>>>>>>>>>>>>> build
>>>>>>>>>>>>> always fails for me ('make -j4'):
>>>>>>>>>>>>>
>>>>>>>>>>>>> ```
>>>>>>>>>>>>> mpif90 -DBINTRAJ -DMPI -c -O3 -mtune=native -fPIC
>>>>>>>>>>>>> -ffree-form
>>>>>>>>>>>>> -I/home/droe/Amber/GIT/amber/include
>>>>>>>>>>>>> -I/home/droe/Amber/GIT/amber/include -o pb_force.o
>>>>>>>>>>>>> pb_force.F90
>>>>>>>>>>>>> pb_force.F90:292:77:
>>>>>>>>>>>>>
>>>>>>>>>>>>> sa_init, sa_driver,
>>>>>>>>>>>>> sa_free,
>>>>>>>>>>>>> sa_free_mb, &
>>>>>>>>>>>>>
>>>>>>>>>>>>> 1
>>>>>>>>>>>>> Error: Symbol ‘saslave_init’ referenced at (1) not found in
>>>>>>>>>>>>> module
>>>>>>>>>>>>> ‘solvent_accessibility’
>>>>>>>>>>>>> Makefile:226: recipe for target 'pb_force.o' failed
>>>>>>>>>>>>> make[3]: *** [pb_force.o] Error 1
>>>>>>>>>>>>> ```
>>>>>>>>>>>>>
>>>>>>>>>>>>> -Dan
>>>>>>>>>>>>>
>>>>>>>>>>>>> --
>>>>>>>>>>>>> -------------------------
>>>>>>>>>>>>> Daniel R. Roe, PhD
>>>>>>>>>>>>> Department of Medicinal Chemistry
>>>>>>>>>>>>> University of Utah
>>>>>>>>>>>>> 30 South 2000 East, Room 307
>>>>>>>>>>>>> Salt Lake City, UT 84112-5820
>>>>>>>>>>>>> http://home.chpc.utah.edu/~cheatham/
>>>>>>>>>>>>> (801) 587-9652
>>>>>>>>>>>>> (801) 585-6208 (Fax)
>>>>>>>>>>>>>
>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>> AMBER-Developers mailing list
>>>>>>>>>>>>> AMBER-Developers.ambermd.org
>>>>>>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>> AMBER-Developers mailing list
>>>>>>>>>>>>> AMBER-Developers.ambermd.org
>>>>>>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> --
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> ____________________________________________________________________________
>>>>>>>>>>>
>>>>>>>>>>> Prof. Gerald MONARD
>>>>>>>>>>> SRSMC, Université de Lorraine, CNRS
>>>>>>>>>>> Boulevard des Aiguillettes B.P. 70239
>>>>>>>>>>> F-54506 Vandoeuvre-les-Nancy, FRANCE
>>>>>>>>>>>
>>>>>>>>>>> e-mail : Gerald.Monard.univ-lorraine.fr
>>>>>>>>>>> tel. : +33 (0)383.684.381
>>>>>>>>>>> fax : +33 (0)383.684.371
>>>>>>>>>>> web : http://www.monard.info
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> ____________________________________________________________________________
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> _______________________________________________
>>>>>>>>>>> AMBER-Developers mailing list
>>>>>>>>>>> AMBER-Developers.ambermd.org
>>>>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> _______________________________________________
>>>>>>>>>> AMBER-Developers mailing list
>>>>>>>>>> AMBER-Developers.ambermd.org
>>>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>
>>>>>>>> --
>>>>>>>>
>>>>>>>> ____________________________________________________________________________
>>>>>>>>
>>>>>>>> Prof. Gerald MONARD
>>>>>>>> SRSMC, Université de Lorraine, CNRS
>>>>>>>> Boulevard des Aiguillettes B.P. 70239
>>>>>>>> F-54506 Vandoeuvre-les-Nancy, FRANCE
>>>>>>>>
>>>>>>>> e-mail : Gerald.Monard.univ-lorraine.fr
>>>>>>>> tel. : +33 (0)383.684.381
>>>>>>>> fax : +33 (0)383.684.371
>>>>>>>> web : http://www.monard.info
>>>>>>>>
>>>>>>>>
>>>>>>>> ____________________________________________________________________________
>>>>>>>>
>>>>>>>>
>>>>>>>> _______________________________________________
>>>>>>>> AMBER-Developers mailing list
>>>>>>>> AMBER-Developers.ambermd.org
>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>>>>>
>>>>>>
>>>>>> _______________________________________________
>>>>>> AMBER-Developers mailing list
>>>>>> AMBER-Developers.ambermd.org
>>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>>>
>>>>>
>>>>> --
>>>>>
>>>>> ____________________________________________________________________________
>>>>>
>>>>> Prof. Gerald MONARD
>>>>> SRSMC, Université de Lorraine, CNRS
>>>>> Boulevard des Aiguillettes B.P. 70239
>>>>> F-54506 Vandoeuvre-les-Nancy, FRANCE
>>>>>
>>>>> e-mail : Gerald.Monard.univ-lorraine.fr
>>>>> tel. : +33 (0)383.684.381
>>>>> fax : +33 (0)383.684.371
>>>>> web : http://www.monard.info
>>>>>
>>>>>
>>>>> ____________________________________________________________________________
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> AMBER-Developers mailing list
>>>>> AMBER-Developers.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>
>>>>
>>>> _______________________________________________
>>>> AMBER-Developers mailing list
>>>> AMBER-Developers.ambermd.org
>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>
>>>
>>> --
>>> ____________________________________________________________________________
>>>
>>> Prof. Gerald MONARD
>>> SRSMC, Université de Lorraine, CNRS
>>> Boulevard des Aiguillettes B.P. 70239
>>> F-54506 Vandoeuvre-les-Nancy, FRANCE
>>>
>>> e-mail : Gerald.Monard.univ-lorraine.fr
>>> tel. : +33 (0)383.684.381
>>> fax : +33 (0)383.684.371
>>> web : http://www.monard.info
>>>
>>> ____________________________________________________________________________
>>>
>>>
>>> _______________________________________________
>>> AMBER-Developers mailing list
>>> AMBER-Developers.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
> --
> ____________________________________________________________________________
>
> Prof. Gerald MONARD
> SRSMC, Université de Lorraine, CNRS
> Boulevard des Aiguillettes B.P. 70239
> F-54506 Vandoeuvre-les-Nancy, FRANCE
>
> e-mail : Gerald.Monard.univ-lorraine.fr
> tel. : +33 (0)383.684.381
> fax : +33 (0)383.684.371
> web : http://www.monard.info
>
> ____________________________________________________________________________
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
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Received on Thu May 26 2016 - 16:00:02 PDT