[gmx-users] a query
Mark.Abraham at anu.edu.au
Tue Jan 24 10:49:57 CET 2012
On 24/01/2012 8:32 PM, Anik Sen wrote:
> Hello Anik here.
> I think its a silly question but, could not stop to ask as its between
> me and my gromacs job.
> I am using gromacs 4.5.5. I want to run a dynamics run with DNA. I
> made a pdb file from vmd software. But the residue file its showing is
> "MOL". There is no residue type named mol. So what will be the residue
> files for DNA. Please suggest.
Your input to pdb2gmx needs to use residue names that match the .rtp
file for your force field. Either generate it with them, or edit them in
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