Eudes Fileti wrote:
Dear GMX users
I think that this question already is old but
Could anyone tell me as I could simulate a
benzene molecule fixed by its center (at the
center of the box) but with its vibration normal
modes free?
This is the same as preventing center of mass motion.
However, we could do with some more position restraint options.
______________________________________
Eudes Eterno Fileti
Centro de Ciência Naturais e Humanas
Universidade Federal do ABC
Rua Santa Adélia, 166
CEP 09210-170
skype: eefileti
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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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