[gmx-users] Re: Positive Potential Energy after equilibration

Satish Kamath satishs.kamath at gmail.com
Tue Jun 12 14:26:16 CEST 2012

Dear Sir,

Thank you for your reply. I just ran NPT and the potential stabilizes at
around +9000. The charge distribution change has reduced a lot of potential
but it is still positive. My NPT ran for 1ns.

Satish Kamath
IISc Bangalore 

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