Re: [AMBER] Looking for a force field with ester linkages between protein chains permitted.

From: David A Case via AMBER <>
Date: Thu, 30 Nov 2023 14:24:53 -0700

On Thu, Nov 30, 2023, David Cowburn via AMBER wrote:
>Unable to find a standard force field which will accommodate ester linkage
>of domains.. Also, unable to access the reference in the manuals to
> from p 57 of the AMBER 22 manual.

I don't think there is a "standard" ff for this, but people know how to get
this going. Can you provide details about the exact chemistry you want?
That is, which amino acids are modified, and what is the ester linkage
chemistry you need to include? (If you are starting with a PDB entry, give
us the PDB ID.)

...regards...dave case

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Received on Thu Nov 30 2023 - 13:30:02 PST
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