[gmx-users] histidine charges in ffopls.rtp

[David van der Spoel]

Marius Retegan wrote:
> Problem solved.
> You where right. The charges in Gromacs are an update version of OPLS/AA.
> I've compared them with parameters from Impact and they are the same.
> Sorry for the inconvenience.
> Marius Retegan
Not in the least! It is very important to have people that do not take 
everything for granted and check what is going on. I wish more people 
would do that.

-- 
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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