From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Nov 26 2008 - 11:19:20 CST
you should not do this.
CHARMM has been parameterized for its own version of TIP3P
and using a different water potential would break the delicate
balance of parameters wrt solvation.
On 11/26/08, Mehdi Bagheri-Hamaneh <mehdi.bagheri-hamaneh_at_case.edu> wrote:
> Hi all,
> How can I use TIP4 water model in NAMD in conjunction with CHARMM
> force field? I appreciate your help very much.
-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:48:42 CST