[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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