From: Ravinder Abrol (abrol_at_wag.caltech.edu)
Date: Tue Aug 24 2010 - 03:22:17 CDT
I would like to use the TIP4P/Ice model to simulate water/ice at 273K.
Anyone has experience in using it within NAMD?
I can find parameters for TIP4P in par_all30_* and top_all30_* files, but it
is not obvious what to change in those files to use the TIP4P/Ice parameters
described in Abascal et al., J Chem Phys 122, 234511 (2005).
-- ________________________________________________ Ravinder Abrol 139-74, Beckman Institute Division of Chemistry and Chemical Engineering Caltech, Pasadena, CA 91125 Phone: 1.626.395.8143 Fax: 1.626.585.0917 Email: abrol_at_wag.caltech.edu ________________________________________________
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