[gmx-users] problem with topology generation of ligand

[Mark Abraham]

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.

Mark