Na ion, Cl ion in TIP4P

From: divya nayar (divya.alchemist_at_gmail.com)
Date: Thu Sep 15 2011 - 02:42:54 CDT

Hi,
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.

Thanks,
Divya

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:23 CST