minimization with biosym

Elias Fernandez szeliasf at
Fri Jul 7 14:23:10 EST 1995

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.

elias fernandez.


 Elias J. Fernandez                 | 
 University of California           |   ## ##     "It's not just an adventure;
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 e-mail    : ejfernandez at

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