[gmx-users] Different Results with Different Platforms

[Kelechi Okoroafor]

Thank you very much, James.
My apologies, I miscommunicated myself.

I meant to say that I used NPT simulation to equilibrate the pressure
to 1bar as desired. I had planned to do NVT simulation after the NPT
simulation, expecting the pressure to fluctuate reasonably about the
mean value of 1bar.

Unfortunately, editconf edited the trajectory such that during the NVT
simulation, the pressure fluctuated about the mean value of 900bar
causing the observed unusual behaviour.

-- 
Best wishes,
Kelechi