Re: Charmm carbohydrate force field

From: JC Gumbart (
Date: Tue Aug 31 2010 - 13:55:44 CDT

Just a guess, but since dimannose is probably joined using a patch, you may need to type "regenerate angles dihedrals" after patching.

On 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

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:06 CST