Hello,
I'm having some difficulties setting up constant pH-ready prmtops in
sleap (whereas I have no problems in tleap). The simple script below
works with tleap, but with sleap complains about not finding
parameters for OH-C-OH. This parameter is defined in frcmod.constph
located in $AMBERHOME/dat/leap/parm . I tried moving the frcmod to
the current working directory and re-running the script, but it still
doesn't work. Any ideas?
----------------------------------------------
source leaprc.ff99SB
loadamberparams frcmod.constph
loadoff constph.lib
l = sequence {ACE AS4 NME}
saveamberparm l prm crd
quit
----------------------------------------------
Thanks!
Jason
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Feb 22 2010 - 22:00:03 PST
