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

[Satish Kamath]

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
India

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