[gmx-users] How to fit ligand in specific site in protein in simulation

sai nitin sainitin7 at gmail.com
Thu Apr 12 10:22:45 CEST 2012

Hi all,

I am working on protein - ligand molecular dynamics simulation using
gromacs. I have a protein in which i know binding site which is composed of
5 residues and i have one ligand i have to place this in binding site.

Can any body tell me how to do place this ligand to binding site

Thanks in advance


Sainitin D
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