From: Peter Freddolino (petefred_at_umich.edu)
Date: Tue Sep 19 2017 - 23:41:42 CDT
Hi Amit,
The tricky part here is the flavin, as the rest of the molecule can be
pieced together from existing components in the charmm force field. If
you're in a rush you could use our published FMN parameters (see
http://pubs.rsc.org/en/content/articlelanding/2013/pp/c3pp25400c#!divAbstract).
However, at present I'm working on a newly revised FMN parameter set which
I suspect will be much better than the one we used a couple years ago. I'm
hoping it will be done in the next month or so, and I'd be happy to share
it once it is ready for production.
Best,
Peter
On Wed, Sep 20, 2017 at 12:12 AM, amit kumar <nitwamitkumar_at_gmail.com>
wrote:
> Dear All,
>
> My research protein includes a cofactor FAD.
>
> Does anyone have FAD parameter/topology file (as cgenff hasn't include it
> yet) ?
>
> Would it be possible for you to share them?
>
> Thank you
>
>
>
>
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