[gmx-users] Umbrella Sampling

Guo, Yanan yanan.guo at partner.kit.edu
Fri Jan 31 16:19:00 CET 2014


Hello Dear Justin,
 
In your Umbrella Sampling tutorial, why did you perform a brief NPT equillibration in each window before starting umbrella sampling?

Is this brief equilibration necessary for all users or only for this tutorial?

Thank you very much!

Best 
Yanan


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