Rongliang Wu wrote:
Hello, gmx-users，
i got in the mannual that g_wham can do umbrella search. how to manage
it ?
it it connected with other software?
and also ffscan can do single point energy calculation, how is the tpr
file generated? i mean how to set the mdp file for ffscan?
you don't want to use ffscan. it's for force field optimization.
Regards
Thanks
Rongliang Wu
[EMAIL PROTECTED]
2006-04-30
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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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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