Re: [AMBER] How to change charge value for 1 residue for MD simulation?

From: David A Case <>
Date: Thu, 23 Apr 2020 08:51:52 -0400

On Thu, Apr 23, 2020, Devashish_Das wrote:
>For some calculations, I wish to change the charge values of 1 residue (Not
>all of that type) in an enzyme (Charges are from jaguar ESP). How to do

Use the "change" command in parmed. Fire up parmed and type "help
change" for quick instructions.

...good luck...dac

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Received on Thu Apr 23 2020 - 06:00:02 PDT
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