[gmx-users] problem with topology generation of ligand

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 7 14:27:31 CET 2012

On 7/02/2012 10:52 PM, Anushree Tripathi wrote:
> How to change parameters of JZ4 topology (as given in tutorial).I 
> think the explaination is given in the article (
> Practical Considerations for Building GROMOS-Compatible Small-Molecule 
> Topologies) which is not freely available.Please help me.

The standard advice is here 
http://www.gromacs.org/Documentation/How-tos/Parameterization. You 
should approach the authors with questions about their building tool works.

You should seriously consider the advice on the above link about 
parameterization and an experienced user.


More information about the gromacs.org_gmx-users mailing list