[gmx-users] the value of pressure is negative

[Nur Syafiqah Abdul Ghani]

Hi all,

I had this problem.When i finished run the equilibration part which is
the NPT part,
and the time for this equilibration takes is about 500ps.
In here,i use the pressure 1 bar and the temperature is 300K,
But when i run the command g_energy to check the pressure of the system,
the value is negative but the others result is okay.

Then i just continue the equilibration.gro to proceed with my md production.
And the result for the pressure is 1.5 something and its almost 2 bar
for average.
Is it normal for that?

--
Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
alternative email : syafiqahabdulghani at gmail.com