[gmx-users] define a new residue

Justin A. Lemkul jalemkul at vt.edu
Sun Jul 8 22:05:51 CEST 2012

On 7/8/12 12:43 PM, Shima Arasteh wrote:
> OK.
> What about generating an output file through CGenFF by the first 3 residues of the protein, rather thn the first 2 (formyl+valine)?

Maybe.  Try it and see, rather than waiting a few hours for someone to get 
around to replying :)



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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