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 - 05:00:03 PDT
