[gmx-users] how to use g_sham ?

[David van der Spoel]

Liang wrote:
> Dear all users :
>  
> g_sham is a new program in 3.3 and i cant find any  discussion about how 
> to use in mailing lists, and i didnt catch the point about the 
> instructions in user manual.
>  
> Is it possible to draw pics about PMF or free energy landscape using 
> some special coordinates, like RMSD, potential, or dihedral angle 
> variations etc. ?

all yes.

have you run g_sham -h ?

> and How to  set up the parameters to get a sensible picture?
>  
> thanks so much for any reply
> 
> 
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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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