VMD-L Mailing List

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Thu Aug 30 2007 - 15:05:59 CDT

May I ask which is the best approach (manual section) to examining the solvent
molecules in closest proximity of the solute (molecule of 98 atoms) after MD in
explicit methanol (and other solvents). Just to see if there are H-bonds with
polar groups and compare conformation in non-hydroxylic solvents.

Thanks

francesco pietra

       
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