[Chimera-users] GLYCAM force fields and Chimera

Elaine Meng meng at cgl.ucsf.edu
Fri Dec 28 11:39:14 PST 2012


Hi John,
Sorry, currently Glycam isn't included in the parameter lookup by Chimera.  Here are details on which parameter files are used for each of the force field choices:

<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/minimize/minimize.html#limitations>

You can assign charges manually, but it is more labor-intensive:
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/minimize/minimize.html#user-specified>

Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Dec 26, 2012, at 11:27 PM, john Kerk wrote:

> Dear Users 
> I want to assign the partial charges of a glucose molecule using chimera-1.7 but I can not find this force field in Add charge suite although the GLYCAM force field files are existing under amber12.
> can I get help
> wishing merry Christmas ,
> John




More information about the Chimera-users mailing list