[gmx-users] Where would I find the 45A4 GROMOS force field?
Justin A. Lemkul
jalemkul at vt.edu
Wed Mar 28 14:19:38 CEST 2012
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.
> 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 <jalemkul at vt.edu
> <mailto:jalemkul at 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:
> 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 A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
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Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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