Hi
I am trying to use chamber as I would like to test some parameter in charmm
versus amber - my problem is when I try to convert from charmm to amber
using chamber
./../amber11/bin/chamber -top top_all27_prot_lipid.rtf -param
par_all27_prot_na.prm -psf trans.psf -crd trans.pdb -cmap
I get the following error
At line 2692 of file _psfprm.f
Fortran runtime error: Bad value during integer read
I have generated my psf using VMD so it is a little bit different than
charmm's psf format can chamber handle the psf for NAMD as well? I am using
ambertool 1.4.
Thx,
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Received on Mon Sep 13 2010 - 08:30:03 PDT
