[gmx-users] ffscan trouble
David van der Spoel
spoel at xray.bmc.uu.se
Mon Oct 9 13:45:17 CEST 2006
Zlenko Dmitry wrote:
> Hi, everybody!!!
> I have a trouble whith ffscan utility. How does it works? What kind of *.dat files it can digest? What kind of "appropriate file" should I pass to it whith -ga option, if I want to use a genetic algorithm? Native description of this utility on this site is very poor, so if anybody worked whith it - help me, please!!!
what do you want to do?
it is meant to do parameter scan for forcefield optimization.
> Zlenko Dmitry,
> Biophysical subdivisoin of
> Biological faculty of Moscow State University.
> Moscow, Russia.
> d_zlenko at mail.ru
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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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