Re: [gmx-users] ffscan trouble
d_zlenko at mail.ru
Mon Oct 9 17:26:09 CEST 2006
> 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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