[gmx-users] TIP4P, TIP4P-Ew
Chih-Ying Lin
chihying2008 at gmail.com
Sat Sep 27 20:20:07 CEST 2008
Hi
There are several parameters to determine a TIP4P or TIP4P-Ew water.
r(OH), Å
HOH, deg
r(OM), Å
A × 10−3, kcal Å12/mol
B, kcal Å6/mol
q(M)
q(H)
dipole moment
.
.
.
etc....
But, from the tip4p.itp, I only found
r(OH), Å
HOH, deg
q(M)
q(H)
where are the other parameters to put in?
Thank you
Lin
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