[gmx-users] GTP topology generation in OPLS-AA force field

[Justin A. Lemkul]

Quoting Shankar Prasad Kanaujia <spk at rishi.serc.iisc.ernet.in>:

> Dear gmx-users,
> I want to run MD for my protein with GTP compound.
> I am using OPLS-AA force field. How can I generate
> the topology file for GTP in OPLS-AA force field ?

Derive parameters consistent with the methods used to generate the original
force field.

http://wiki.gromacs.org/index.php/Parameterization

-Justin

>
> Thanking you all for your kind support and suggestions.
>
> ---
> Yours Sincerely,
> Shankar Prasad Kanaujia
> Research Student
> C/O - Dr. K. Sekar
> Bioinformatics Center, Department of SERC
> IISc, Bangalore - 12, INDIA.
> Office Phone: 2469, 3059
> Mobile: 9845631581
>
>
>
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========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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