[gmx-users] High pressure

[Arnab Senapati]

Hi all,
       I have simulated a system of LJ molecules. I have used reduced
units. My box size was 8.58. No of molecule was 442. I have run a
NVT simulation. The runtime was 200 ps. After simulation the
reduced energy/per molecule i got was 4.29 which is acurate
(checked from Hailee). But the pressure I got was around 50 bar.
where it should be around 1 bar.
    Can anybody please tell me what is the problem.

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