[gmx-users] Green fluorescent protein's chromophore

Justin Lemkul jalemkul at vt.edu
Wed Dec 5 17:03:36 CET 2012

On 12/5/12 11:00 AM, James Starlight wrote:
> Hi Bharat,
> That simulation have been done in charmm program so the convertion
> from charmm to gromacs would be more routinely for me.

I think it would be better if you describe exactly what you need help with.  If 
it's a matter of having parameters in CHARMM format but not Gromacs format, then 
all you need is to follow the manual to implement the parameters.  If you're 
having a specific problem along the way, please describe it fully and 
specifically, otherwise the default response is "everything's in the manual and 
elaborated on at the webpage you already quoted."



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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