Re: [AMBER] Query regarding multiplication of LJ parameters by a constant in topology file using parmed

From: David A Case <david.case.rutgers.edu>
Date: Tue, 24 Jul 2018 19:28:52 -0400

On Tue, Jul 24, 2018, Leena Aggarwal wrote:

>
> Can we multiply the existing Lennard Jones parameters of the topology file
> by a constant using parmed ??

Changing epsilon will multiply an existing LJ term by the ratio of the new
to the old epsilon value. Maybe that will do what you want?

....dac


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Received on Tue Jul 24 2018 - 16:30:04 PDT
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