[AMBER] How to calculate interaction energy between any two residues of one protein

From: danieldefoe <daniel.defoe.cadd.outlook.com>
Date: Wed, 4 Mar 2015 05:04:40 +0000

Dear all, Could we use Amber to calculate interaction energy between any two residues of one protein? I tried with this command: MMPBSA -i filename.in -d filename.dat -do filename2.dat -sp complex_solvated.prmtop -cp complex.prmtop -x filename.mdcrd Is this correct? Best wishes, Daniel defoe
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Received on Tue Mar 03 2015 - 21:30:02 PST