Re: [gmx-users] Re: Pressure control in GROMACS 4.0.7

2010-07-10 Thread David van der Spoel
On 2010-07-10 12.40, Vitaly Chaban wrote: Dear Professor van der Spoel: Don't you have an idea why the average value of pressure appears to be (always?) slightly larger and (never?) smaller than requested one? I did not collect the statistics systematically but I often mentioned this curious fac

[gmx-users] Re: Pressure control in GROMACS 4.0.7

2010-07-10 Thread Vitaly Chaban
Dear Professor van der Spoel: Don't you have an idea why the average value of pressure appears to be (always?) slightly larger and (never?) smaller than requested one? I did not collect the statistics systematically but I often mentioned this curious fact. Vitaly > fluctuations are proportiona