Sir,
Do we have any alternatives to ANAL module in AMBER10 and 11?
Thanks
Soumya**
On Wed, Mar 21, 2012 at 5:25 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Wed, Mar 21, 2012, 王伟 wrote:
> >
> > I have been using AMBER9 on RED HAT Linux. Recently,I want to perform
> > the ANAL module of Amber9 to assess the contributions of different
> > structural moieties of the inhibitor to the interaction energy of
> > the inhibitor with the protein. But in the ANAL input file,I can not
> > correctly define the group format of the inhibitor. so here I want to
> > know how I will write it. Thanks
>
> An Appendix to the Users' Manual discusses group input and gives a number
> of
> examples. Beyond that, you would have to say what you tried, and what the
> result was. Bear in mind that ANAL is quite old, and is no longer being
> developed or used very much.
>
> ....dac
>
>
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Received on Wed Mar 21 2012 - 23:30:03 PDT
