On 21/07/2011 12:59 PM, E. Nihal Korkmaz wrote:
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)
Why not check out the primary literature? Search GROMACS manual for SPC,
follow the reference link for the relevant citation.
Mark
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