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