Jussi Lehtola wrote:
Hi again,
thanks to Tsjerk and Erik for a quick reply. Would anyone happen to have
a .gro file (& al) for methanol using OPLS or another all-hydrogen force
field? I tried running pdb2gmx on the tutorial .pdb files, but it failed
with the error
Fatal error:
Atom Me1 in residue MET 1 not found in rtp entry with 17 atoms
while sorting atoms
chapter 5.
pdb2gmx only works on proteins.
--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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