[gmx-users] Topology for Charmm, regarding

RAHUL SURESH drrahulsuresh at gmail.com
Sat Dec 16 07:28:07 CET 2017

Dear all

I have generated a structure.par file using ffTK toolkit of VMD. To use it
in gromacs I have generated the structure.top file using topoltool plugin
of vmd.

1. Now, how can i generate "itp" file to carry out, protein-ligand

2. Will it be sufficient if I generate "gro" file using pdb2gmx command for
the simulation?

Thank you.

*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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