[gmx-users] problem with generation of .gro file

subarna thakur thakur.subarna at yahoo.co.in
Tue Jun 2 13:39:54 CEST 2009

I am running the pdb2gmx command for a homodimer protein with SF4 (a ferro-sulphur cluster) ligand but it fails to generate the .gro file. A error is coming SF4 not found in residue topology database. I have trired all the different force fields. Can anybody please tell me how to correct the error? How to modify the rtp file to consider the ligand? 

Subarna thakur
University of north bengal

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