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

Satish Kamath satishs.kamath at gmail.com
Wed Jun 13 10:29:53 CEST 2012

Dear Sir,

I removed the H-H 1-4 interaction from pairs and this seems to have lowered
the potential a lot to 10^2 from 9000 but is still positive. But is it a
valid thing to do?

Satish Kamath
IISc Bangalore

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