Re: [AMBER] Recurring problem: Ligand lose planarity

From: David A Case <>
Date: Mon, 27 Apr 2020 14:24:47 -0400

On Mon, Apr 27, 2020, Jenny 148 wrote:

>Could you just tell me if the -nc flag is really necessary during the resp
>fit if our ligand has a net charge?

I thinkt the answer is "yes". You should be able to determine this for
yourself: do runs with and without the -nc flag, and compare the


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Received on Mon Apr 27 2020 - 11:30:03 PDT
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