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)
Thanks, -- 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: kork...@wisc.edu
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