Re: [AMBER] Ligand breaks during system preparation

From: David A Case <>
Date: Sat, 6 Nov 2021 09:29:38 -0400

On Sat, Nov 06, 2021, Ch Bilal wrote:
>I am performing system preparation of a protein-ligand complex (a protein
>of 1321aa) using AMBER20. The problem is that ligand gets broken during
>system preparation. I am attaching the system preparation commands
>here. Could you please help me to find out what is the problem?

Can you explain more about what you mean when you say "the ligand gets
broken"? Have you run a simulation with just the ligand, and no protein?


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Received on Sat Nov 06 2021 - 06:30:03 PDT
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