[gmx-users] force field problem....

Kamalesh Roy roy.kamaleshmd at gmail.com
Thu Apr 16 13:12:32 CEST 2015

Dear all,

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
Making bonds...
No bonds
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
Writing topology

Back Off! I just backed up oleic1.itp to ./#oleic1.itp.1#

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