[gmx-users] force field problem....
roy.kamaleshmd at gmail.com
Thu Apr 16 13:12:32 CEST 2015
please suggest for the topology for oleic acid..
The information retreived after we run editconf...
as a result atoms of the molecule becoming non bonded......in the box..
8 out of 8 lines of specbond.dat converted successfully
Checking for duplicate atoms....
Generating any missing hydrogen atoms and/or adding termini.
Now there are 1 residues with 20 atoms
Generating angles, dihedrals and pairs...
Making cmap torsions...There are 0 dihedrals, 0 impropers, 0 angles
0 pairs, 0 bonds and 0 virtual sites
Total mass 279.445 a.m.u.
Total charge -1.000 e
Back Off! I just backed up oleic1.itp to ./#oleic1.itp.1#
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