hello,
i have been trying to minimize a portion of a protein with biosym. i
first solvate the entire molecule. i have been trying to include only the
solvent molecules in and around the active site in the minimization. i'd
like to also run a dynamics on this small portion. however, i haven't
been able to include the water molecules around the active site.
has any one used the biosym-insight/discover software to do this?
i'd like to know if there was a way here.
thanks,
elias fernandez.
--
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Elias J. Fernandez |
University of California | ## ## "It's not just an adventure;
Section of Molecular and | (@ (@ it's a job!"
Cellular Biology | \
Davis, CA 95616 | ##### |
Tel. No. : (916)-752-3356 | ~\_====+
Fax No. : (916)-752-3085
e-mail : ejfernandez at ucdavis.edu
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