From: divya nayar (divya.alchemist_at_gmail.com)
Date: Thu Sep 15 2011 - 02:42:54 CDT
I want to simulate a box of sodium ion/chloride ion in TIP4P. I would like
to ask what Lennard-Jones (sigma and epsilon) parameters will NAMD use for
sodium ion in TIP4P because, the ones mentioned in
"par_all27_prot_lipid.inp" file would be parameterized with TIP3P water?
In other words, I want to know the LJ parameters for sodium, chloride ions
in TIP4P water that CHARMM force-field uses.
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