[gmx-users] Topolgen and topolbuild

[Justin Lemkul]

On 10/4/17 6:09 AM, Sergio Manzetti wrote:
> Hi Stephane. Thanks for that. I have tried it, however it generates a str file, and from there how to generate the GMX ITP is unknown.
>
> Is there a tutorial that shows how to generate ITP from STR?

Use our conversion script:

http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs

-Justin

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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