[gmx-users] Re: Coupling groups for nvt equilibration

[Justin A. Lemkul]

neeru sharma wrote:
> Thanks Justin.
> 
> I have tried both ways now and considering Protein_MG_GDP and Water_ions 
> groups, it is running without any error but Protein_GDP and 
> MG_Water_ions is failing with an error message.
> 

Well, without knowing the exact error message and all the steps you did 
preceding that to set up the index groups, there's nothing anyone can do to 
help, though I don't think it's necessary anyway.  You have a set of groups 
that's working and that makes sense for your system.

-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

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