[gmx-users] histidine charges in ffopls.rtp
David van der Spoel
spoel at xray.bmc.uu.se
Wed Nov 14 07:39:32 CET 2007
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 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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