check IRESID option..
On Wed, Apr 8, 2015 at 8:27 PM, Ayesha Fatima <ayeshafatima.69.gmail.com>
wrote:
> Dear All,
> I want to carry out SMD on a protein-protein complex. When I read the
> input file in the manual as well as on the mailing list, i find that
> there are ways to define atoms using "iat" and the "igr" commands.
> However, does anyone have experience in defining whole residues ?
> thanks
> regards
> ayesha, UM
>
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Received on Wed Apr 08 2015 - 09:30:02 PDT
