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