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

From: David A Case <>
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?


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