Re: [AMBER] How to compute MM/PB(GB)SA with Extra Points

From: David A Case <>
Date: Mon, 31 Jan 2022 13:23:18 -0500

On Wed, Jan 19, 2022, 王世玉 wrote:
>1. whether we also could compute MMPB(GB)SA after add Extra Points in Amber
>Topology File?

There have been reports of odd behavior from MMPBSA using extra points, but I
don't know that these were ever duplicated or resolved. Maybe Ray or others
have a better memory than I do.

>2. where could I download the amber version that could simulate Extra Points?

All versions of Amber support extra points. If you find problems, please let us


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Received on Mon Jan 31 2022 - 10:30:02 PST
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