Re: Charmm carbohydrate force field

From: Chris Harrison (
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 <> 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?
> Thanks.
> Jianhui

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                            Voice: 217-244-1733               Fax: 217-244-6078

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:54:28 CST