[gmx-users] Where would I find the 45A4 GROMOS force field?

[Justin A. Lemkul]

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 <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:
> 
>     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
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     <tel:%28540%29%20231-9080>
>     http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
>     <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> 
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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

========================================