[gmx-users] using CHARMM force field for organic molecule

[Justin Lemkul]

On 4/22/13 9:50 AM, Albert wrote:
> On 04/22/2013 01:43 PM, Justin Lemkul wrote:
>> There are several options, all external to Gromacs:
>>
>> https://www.paramchem.org/
>> http://www.swissparam.ch/
>>
>> -Justin
>
>
> did paramchem support gromacs? As far as I know it only export in CHARMM
> format.....
>

If you have parameters (in whatever format), conversion into Gromacs format is 
fairly straightforward.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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