[gmx-users] water molecules in vacuum simulation.

anwar at cdfd.org.in anwar at cdfd.org.in
Tue Sep 26 12:58:52 CEST 2006

Dear users,
Is it possible to perform an invacuum simulation with few constrained water 
molecules? I dont want to use the explicit solvent, but want to use the 
crystallographic water molecules in protein and perform invacuum simulation. 

Mohd Anwaruddin
Project Assistant
C/o DR.H.A.Nagarajaram
Lab of Computational Biology and Bioinformatics
Center for DNA Fingerprinting and Diagnostics(CDFD)
Hyderabad-500 076
Tel: +91-8413-235467,68,69,70 ext 2019
anwar.m1 at gmail.com


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