Marc Gordon wrote:
Oh awesome. Thanks so much for this.
I've never worked with GROMOS or gromacs themselves. I'm going to need
to look up whether or not it is possible to use these files to generate
files in the gromacs format required as input for NAMD now but at least
having access to the force fields puts me that much further along. I
don't suppose you know offhand whether such a thing is possible?
Sorry, but I don't. I haven't done anything with NAMD that wasn't out of the
box. That's probably a question better posed to the NAMD people.
-Justin
I see they have a myriad of force fields available on ATB including the
other one I am interested in 53A6.
Thanks again.
On Wed, Mar 28, 2012 at 2:50 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
Marc Gordon wrote:
Hi all
I have never posted to the mailing list before but it has proven
very helpful in the past.
I'm looking for the 45A4 force field. I've been asking Mr.
Google but so far I haven't had any luck locating it. This is I
imagine probably down to the wrong keywords or something
I want to do some work on disaccharides and I would very much
like to use this force field. I'm going to be using it thorugh NAMD.
I thought this would be the best place to ask if anyone knew of
a site where this force field was being maintained or something.
You can get the files from ATB:
http://compbio.biosci.uq.edu.__au/atb/
<http://compbio.biosci.uq.edu.au/atb/>
They are formatted for use with the GROMOS MD package, but that's
the only source of these files of which I'm aware.
-Justin
--
==============================__==========
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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Department of Biochemistry
Virginia Tech
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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