[gmx-users] SPC/E water for Charmm ff implementation

E. Nihal Korkmaz enihalkorkmaz at gmail.com
Thu Jul 21 04:59:52 CEST 2011

Dear all,

I was trying to see the LJ parameters for SPC/E water in Charmm27.ff
implementation in Gromacs. In the ffnonbonded.itp file i can see parameters
for TIP3P, TIP4P, SPC but not for SPC/E. Does SPC/E use the same parameters
with SPC? (but the charges listed in the ffnonbonded.itp is different than
the ones listed in spce.itp)


Elif Nihal Korkmaz

Research Assistant
University of Wisconsin - Biophysics
Member of Qiang Cui & Thomas Record Labs
1101 University Ave, Rm. 8359
Madison, WI 53706
Phone:  608-265-3644
Email:   korkmaz at wisc.edu
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