[gmx-users] Umbrella Sampling - gen_temp

[Justin A. Lemkul]

Steven Neumann wrote:
> Dear Justin,
>  
> Can I ask you why didnt you use in your mdp files for umbrella sampling 
> (both MD and NPT):
> 
> gen_temp = 310 ; temperature for Maxwell distribution
> 

I wasn't generating velocities in those steps, and as such, setting gen_temp was 
unnecessary.

-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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