[gmx-users] Reg : Protein-ligand complex using Amber force field

Rohit Farmer rohit.bioinfo at gmail.com
Sun Nov 27 22:44:32 CET 2011

Dear GMX user,

Can anyone suggest how to use simulated a protein-ligand complex using 
AMBER force field in GROMACS.

And one thing more in another simulation i am trying to find out the 
difference in protein complex interaction by mutating one residue. Right 
now I am using simple procedure to perform simulation on the wild type 
and the mutant complex. Is there any specific procedure which I can use 
to record any significant difference in the complex just by the mutation 
of one residue.

Many thanks


More information about the gromacs.org_gmx-users mailing list