Re: [AMBER] Amberff99sb topology for phosphorylated tyrosine residue in GROMACS

From: David A Case <>
Date: Tue, 20 Aug 2019 08:24:42 -0400

On Tue, Aug 20, 2019, Seketoulie Keretsu wrote:
>I know this issue has been raised earlier by others but I'm still having
>trouble with generating topology files for a phosphorylated protein,
>phosphorylated at Tyrosine 1034 residue. I am using gromacs2018 and
>Amber99SB protein as FF.

I'm not sure what path you are taking to build the stucture. If you are
building in Amber and afterwards converting to gromacs, make sure you
include the following line in your leap script:

source leaprc.phosaa10

....good luck....dac

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Received on Tue Aug 20 2019 - 05:30:02 PDT
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