Re: [AMBER] Switch function in NAMDEnergy cooresponds to AMBER input flag

From: David Case <david.case.rutgers.edu>
Date: Sat, 27 Jul 2019 13:08:52 +0000

On Fri, Jul 26, 2019, Lod King wrote:
>
>What flag should I check in AMBER input file for "switch" distance that is
>corresponded to NAMDEnergy in VMD?

I'm guessing you will need to ask this question at the VMD or NAMD
forums. Amber doesn't use switching functions in its energy
calculations. One would generally set "switching off" in NAMD when
using Amber force fields; see this page:

   http://ambermd.org/namd/namd_amber.html

...dac


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Received on Sat Jul 27 2019 - 06:30:02 PDT
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