[AMBER] How to modify the LENNARD_JONES_BCOEF in amber topology

From: anu chandra <anu80125.gmail.com>
Date: Sat, 7 May 2016 16:52:25 +0100

Dear Amber users,

I am trying to use a modified parameter set from the literature for
simulation, where the B coefficient of LJ potential the one atom type ( for
e.g. atom type Z) is set as zero. In oder to implement this the amber
topology, I have to modify the LENNARD_JONES_BCOEF values to zero for each
pair of atom type, where atom type D in involved in the pair. Is there an
build script in Amber that can help me to do such modification in the
topology file?

Many thanks in advance

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Received on Sat May 07 2016 - 09:00:03 PDT
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