[gmx-users] RE: potential energy increases

bmbbl at leeds.ac.uk bmbbl at leeds.ac.uk
Wed Jun 15 14:37:26 CEST 2005

Hi gmx-users,

I have posted a question about potential energy increase several days ago.
During EQB simulation, the system potential energy increased and oscilated. I
have check temperature during EQB using g_energy. However, the temperature of
the system is maintained stable around 300-310 K. So I still dont understand
how could the potential energy increased?



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