From: Kramer Campen (campen_at_geosc.psu.edu)
Date: Fri May 25 2007 - 15:54:11 CDT
Gaurav:
I've had good results using the GLYCAM amber type parameters for
sugars (and are available at www.glycam.org) which can be run without
incident in NAMD. I believe the most recent versions of John Brady's
CHARMM parameters for sugars are from Naidoo and Kuttel and are
available here
(http://hydrogen.cem.uct.ac.za/compchem/research.php). One apparent
disadvantage of the Kutel parameters appears to be that they didn't
parameterize as many different types of sugars.
Kramer
At 02:14 PM 5/25/2007, Gaurav Sharma wrote:
>Hi All,
>
>I plan to do simulations on a glycoprotein using NAMD. For this I
>need Charmm topology and parameters for polysacchrides. I was
>wondering if anyone has experience with glycosylation using
>NAMD/Charmm and would be kind enough to share his force-field files with me.
>
>Thanks,
>Gaurav
>
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