[gmx-users] ffscan trouble

[David van der Spoel]

Zlenko Dmitry wrote:
>> David van der Spoel wrote
>>
>> what do you want to do?
>>
>> it is meant to do parameter scan for forcefield optimization.
>>
> 
>  I need to create a force field for my system. From the description
> of ffscan I've concluded that this utility may help me. Am I write
> or not? If so, whould you explain me how does it works, I realy need it! I don't want to create obligatery new FF, may be it is possible to optimaze an existing one.
>  Thank you for your attention!!!
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please be more specific
ffscan has only limited functionality

-- 
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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