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

[Marc Gordon]

Ah well no worries. I will delve back into the gromacs and NAMD user guides
and see what I can dig up with regards to getting these GROMOS files
working through NAMD.

Thanks again for the help you have given me.

Marc


On Wed, Mar 28, 2012 at 4:19 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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/<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://vt.edu/Pages/Personal/justin>
>>    <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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
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