Re: [AMBER] How to use a relatively smaller cutoff in the GB simulation

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From: David A Case <david.case.rutgers.edu>
Date: Thu, 24 Jun 2021 08:46:31 -0400

On Thu, Jun 24, 2021, jinfeng liu wrote:
>
>Thanks for your reply. Is there an example or tutorial for using of GB-HCP
>model ? Does amber20 support it ?

Please read section 45.5.2 in the Amber2021 Reference Manual. There are
links to two examples there.

GB-HCP is a part of all recent versions of AmberTools; it is not included
in pmemd.

....dac

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Received on Thu Jun 24 2021 - 06:00:02 PDT