From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Tue Dec 05 2006 - 01:34:08 CST
Have a look at this article. i think there is amber parameter for
cyanocobalmine but i am not sure. there may be some charmm parameter also.
you can search google or may be ncbi.
*Journal of Molecular Structure*
Volume 561, Issues
12 April 2001, Pages 71-91
On 12/5/06, Sting <stg1979_at_emails.bjut.edu.cn> wrote:
> Dear JC Gumbart,
> I want to perform a SMD to pull the B12 through a channel. I try to
> generate a gromacs topology using the web server"
> davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg/" and hope to convert it to
> charmm format, but it can't handle the metal Co.
> DO you have any suggestion?
> Thank you a lot!
> >For what purpose do you need this? I think there are some Amber and
> >parameters out there, but no Charmm that I know of. It's certainly a
> >difficult molecule and there may be no appropriate template in Charmm
> >already I'm afraid.
> >-----Original Message-----
> >From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On
> >Of Sting
> >Sent: Monday, December 04, 2006 10:18 PM
> >To: namd-l
> >Subject: namd-l: about topology generation
> >Dear all,
> > I want to build the topology of vatamin B12, and I have the
> >topology-tutorial, but I can't find a appropriate template.
> >Does anyone have the similar experience ?
> > Any suggestion will be appreciated.
> > Thank you in advance!
> > Sting
> > stg1979_at_emails.bjut.edu.cn
> > 2006-12-10
> = = = = = = = = = = = = = = = = = = = =
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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