From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Sun Apr 05 2009 - 02:57:40 CDT
At present there is unfortunately not an implicit solvent model implemented in NAMD. As indicated on the list, there was some earlier work involving APBS. If you are interested in that, David Tannor in our group may be able to point you in the right direction. Realizing their importance to some specific methods like constant-pH simulations, there is an effort to include one in a future release; however there will unfortunately not be one ready for the upcoming 2.7 release.
-- Chris Harrison, Ph.D. Theoretical and Computational Biophysics Group NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 char_at_ks.uiuc.edu Voice: 217-244-1733 http://www.ks.uiuc.edu/~char Fax: 217-244-6078 ramya narasimhan <ramya_jln_at_yahoo.co.in> writes: > Date: Fri, 3 Apr 2009 12:29:57 +0530 (IST) > From: ramya narasimhan <ramya_jln_at_yahoo.co.in> > To: namd-l_at_ks.uiuc.edu > Subject: namd-l: regarding implicit solvent models > Return-Path: char_at_halifax.ks.uiuc.edu > Message-ID: <996352.84136.qm_at_web8903.mail.in.yahoo.com> > X-Spam-Status: No, score=-0.9 required=5.0 tests=AWL,BAYES_00,HTML_MESSAGE, > HTML_SHORT_COMMENT,RCVD_IN_SORBS_WEB autolearn=no version=3.1.7-0+tcb1 > > Hi All, > Is there any implicit solvent model included in NAMD program? > > Ramya.L. > > > > Add more friends to your messenger and enjoy! Go to http://messenger.yahoo.com/invite/
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