[gmx-users] How to get topology file for OPLS
Mark Abraham
Mark.Abraham at anu.edu.au
Sun Apr 22 12:06:50 CEST 2007
Rui Li wrote:
> Dear all,
> I have a ligand moleculer, and I process it on PRODRG, but it only get top file
> for GROMOS force field, I want get the atom type for OPLS, How can I do this?
There's nothing for it but to use (say) the PRODRG output as a template
and to build your own through a thorough knowledge of Chapter 5 of the
manual.
Mark
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