Dear AMBER Users:
I am trying to simulate a system with partial of the protein is
solvated with explicit solvent while the remaining part of the molecule is
in gas phase with distance-dependent dielectric constant. The purpose of
this is to reduce the computational time since my target is a pretty large
system with more than 10,000 atoms. Will this be a plausible precedure and
could anyone give me suggestions how to prepare the solvent shell with
AMBER6?
With best regards,
Minmin
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Minmin Wang
Chemistry Department, Emory University
1515 Pierce Dr., Atlanta, GA 30322
Tel:404-7276631 Fax: 404-7276586
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Received on Mon Jun 26 2000 - 13:10:32 PDT
