[gmx-users] interactions between water molecules

Maria Sabaye Moghaddam msabaye at chem.utoronto.ca
Thu May 4 19:22:20 CEST 2006

Hello All;

      I am trying to calculate LJ and Coulomb interactions between  
TIP4P water molecules
(396 in a box) at atmospheric pressure and room temperature.  I cannot find
any references as to the expected values; so I cannot compare my results to
anything.  Does anyone know of any published values?



Dr. Maria Sabaye Moghaddam
Department of Biochemistry
University of Toronto
Medical Sciences Building
1 King's College Circle, room 5363
Toronto, Ontario M5S 1A8, Canada

Tel  : (416)946-5537
email:  msabaye at chem.utoronto.ca
Fax:   (416)978-8548


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