[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 


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