[gmx-users] TIP4P, TIP4P-Ew

[Chih-Ying Lin]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080927/676269b4/attachment.html>