[gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)

Mark Abraham Mark.Abraham at anu.edu.au
Mon Aug 27 15:16:45 CEST 2007


fulya caglar wrote:
> Hi Mark,
> I checked my  .top file and I saw that there is no q0 column under the 
> [dihedrals] in the complex topology  file but there is q0 column in the 
> ligand protein .top file.Dou you think that it is  the source of my 
> problem?Thanks very much.

I don't know... you'll have to give examples and explain *fully* how you 
generated the sections.

Mark



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