Query regarding ABF Tutorial on Methane Hydration

From: Navendu bhatnagar (navendu.bhatnagar_at_gmail.com)
Date: Thu Jun 24 2010 - 12:38:42 CDT

Hello Dr. Chipot,

> As per your last mail, I performed minimization, heating and equilibration
> of the Methane-water system in NPT ensemble (did not increase the
> z-dimension basis vector to 60.)
> This was followed by ABF calculation (increased the z-dim to 60. for gas
> phase) in the NVT ensemble using the .conf file provided in the tutorial--001636c924b222d9d80489ca201a--

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