[gmx-users] Total Energy of the system is positive?

teklebrh at ualberta.ca teklebrh at ualberta.ca
Tue Oct 26 06:48:07 CEST 2010

Dear Gromacs users,

I have simulated a system for 10ns and found out that the Total Energy  
of the system is positive and even the Epot of the system is positive.  
Is the data then reliable. Before I run the simulation i just check  
the energy min step and it was in fact negative.

What does this mean? and There is no flactuations in temp and pressure.

In solvent one it was negative and in solvent 2 it is negative. The  
same polymer but in diffrent solution. One solution give me positive  
TE and the other not.

any explanation and also is my system normal.



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