[gmx-users] can we calculate chemical shifts

[David van der Spoel]

Richa taimni wrote:
> Dear all,
> my question is that is it possible to calculate
> chemical shift with the help of gromacs software.
> 
You want to get the latest software from the David Case group at Scripps 
for that.

> Regards,
> Richa
> 
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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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