回复: Re: [gmx-users] PMF calculation
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jan 11 10:44:32 CET 2007
xi zhao wrote:
> Dear Mr Mark Abraham:
> Can you tell us the details of performing PMF procedures? Thank you
> very much!
> Best wish for you!
plz start by reading the manual. if you have *specific* questions you
can put them on the mailing list.
>
> */Mark Abraham <mark.abraham at anu.edu.au>/* 写道:
>
> > Dear all,
> > I am working on a tripeptide and would like to calculate Potential
> > Mean Force for the tripeptide. Suggestions to calculate PMF are
> > awaited.
>
> How about looking for PMF in the manual and reading what it has to
> say there?
>
> Mark
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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