[gmx-users] how to run production MD for only a fragment of protein
Justin A. Lemkul
jalemkul at vt.edu
Sat Jun 2 17:40:32 CEST 2012
On 6/2/12 11:33 AM, Acoot Brett wrote:
> Dear All,
> Can you tell me a web link on a protocol or reference for steered production MD
> or the production MD just for only a fragment of the whole protein, by GROMACS?
That's sort of a broad request. If you can describe more specifically what you
want to do, you're more likely to get some assistance. There are tons of
literature references about modeling peptide fragments. For other web links or
tutorials, a few minutes on the Gromacs website and Google will tell you if such
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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