From: Chris Harrison (charris5_at_gmail.com)
Date: Tue Aug 31 2010 - 13:30:03 CDT
NAMD supports the CHARMM forcefields. Unless there is a new term in
the FF unique to carbohydrates, NAMD will also simulate carbohydrates
as dictated by the forcefield. It is likely the problem is rather due
to another simulation parameter, the starting configuration, or a
pathological problem specific to the system being simulated.
On Tue, Aug 31, 2010 at 1:09 PM, Jianhui Tian <jianhuitian_at_gmail.com> wrote:
> Dear NAMD users,
> I want to simulate some sugars using CHARMM carbohydrate force field in
> NAMD. I ran a small system of dimannose solvated in water but got some
> angles look really strange. My question is whether the NAMD program support
> the CHARMM carbohydrate force field. Have anyone used this FF in NAMD?
-- 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
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:06 CST