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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