[gmx-users] Fwd: residue not found in the database.

abbas khan biotechuos4 at gmail.com
Mon Feb 13 06:18:54 CET 2017

I'm trying to do a complex simulation in Gromacs but it is showing the
following Error, how to solve this?

Residue 97 named ARG of a molecule in the input file was mapped to an entry
in the topology database, but the atom CG used in that entry is not found
in the input file. Perhaps your atom and/or residue naming needs to be

for all FF this problem is coming again and again.

Gromacs simulation of Metalloproteins?

Hi everyone, Hope you will be doing well. I'm new in the field of
simulation and using Gromacs. , I appreciate your efforts the way you
provided step by step tutorials. , I'm simulation a protein with cofactors
Zinc and Magnesium. I searched on the internet and people suggested to use
CHARMM force field but the thing is when I'm using CHARMM force field it is
showing ZINC topology parameters not found in the database.  please suggest
me any solution and also tell me can we use any other forcefield or not?

More information about the gromacs.org_gmx-users mailing list