VMD-L Mailing List
From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Tue Jul 24 2012 - 13:52:23 CDT
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- In reply to: Him Bandhu Upadhyay: "Charmm FF parameter file for 2-hydroxypyridine"
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Him,
The Force Field Toolkit (ffTK) has recently replaced Paratool as the go-to VMD plugin for CHARMM/CGenFF-compatible parameterization. Since it's initial release in VMD 1.9.1, we have made several important bug fixes. We strongly suggest using the latest released version by downloading the latest VMD 1.9.2.alpha builds, available through BioCoRE (http://www.ks.uiuc.edu/Research/biocore/). Documentation is provided via the usual plugins documentation pages (http://www.ks.uiuc.edu/Research/vmd/plugins/fftk/). We have also recently completed development of a series of screencasts that will guide users through the complete parameterization of a small molecule, which will appear on the documentation page shortly.
Regards,
Chris
On Jul 24, 2012, at 1:10 PM, Him Bandhu Upadhyay wrote:
hello everyone,
Can anyone tell me how to get CHARMm force field parameters for 2-hydroxypyridine using PARATOOL or any other way ?
________________________________
Him Upadhyay
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