add ions

From: Mahalakshmi Sahasranaman (
Date: Mon Aug 08 2005 - 07:41:33 CDT

Dear Users,

I want to do a energy minimization and then a MD
simulation for trypsin-BPTI complex. I need to add 15
Cl- ions in positions of largest electrostatic
potential and fix these counterions during all
simulations. Is it possible ?

If not, placing Cl- ions randomly for trypsin-BPTI
complex, would it give the same results instead of
having Cl- in the positions of largest electrostatic
potential ?

Thank you very much for your help.


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