[gmx-users] Where would I find the 45A4 GROMOS force field?
marcgrdn55 at gmail.com
Wed Mar 28 14:16:18 CEST 2012
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?
I see they have a myriad of force fields available on ATB including the
other one I am interested in 53A6.
On Wed, Mar 28, 2012 at 2:50 PM, Justin A. Lemkul <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 | (540) 231-9080
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