Re: [AMBER] Problem for the frcmod file from the amber tutorial

From: David Case <>
Date: Wed, 21 Aug 2019 02:24:16 +0000

On Wed, Aug 14, 2019, 辛志宏 wrote:
>when I run the command as follows with the sustiva.mol2 file download from the this tutorial
>parmchk2-i sustiva.mol2 -f mol2 -o sustiva.frcmod
>but the result different from the tutorial.

My first guess is that the tutorial may be out of date. What are the
differences in the two frcmod files? The current gaff.dat distributed
with Amber may well be an updated version of the one that was present
when the tutorial was created.

[Volunteers are hereby requested to see if basic tutorial 4b needs


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Received on Tue Aug 20 2019 - 19:30:04 PDT
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