[gmx-users] Using CHARMM27 with TIP4PEW

Karl Debiec ktd3 at pitt.edu
Fri Mar 9 05:46:50 CET 2012

I'm interested in using CHARMM27 with the TIP4PEW water model. However,
only TIP4P is available by default. Are their any fundamental barriers to
my editing/adding to the files in the charmm27.ff folder to enable TIP4PEW?
Is there any fundamental reason why TIP4PEW isn't enabled, other than that
it wasn't part of the (published) tests as the force field was ported?

Thank you,
Karl Debiec

Karl Debiec
Graduate Student, Molecular Biophysics & Structural Biology
University of Pittsburgh
Chong Group, Department of Chemistry
Gronenborn Group, Department of Structural Biology
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