[gmx-users] Gromacs

[saranya]

I have already done simulation for protein and drug interacted protein
complexes for 100ns. I just checked out the pressure of my system by using
gmx energy command, but the calculated pressure is quite altered (20,000
pressure bar).
Moreover, when I calculated the temperature of my system, the result was
zero. I am not able to understand the origin of this discrepancy. kindly
consider the above issue and please help me out.

With Regards,

*Saranya Vasudevan,*

*Research Scholar,*

*Molecular Quantum Mechanics Laboratory,*

*Department of Physics,*

*Bharathiar University,*

*Coimbatore-46*