[gmx-users] pressure fluctuation and actual density

[Afsane Farhadi]

 hiI want to simulate a box of methyldiethanol amine and see the  actual density . I set 100 amine molecules in a cubic box 4×4×4 (nm^3)I first used energy minimization for 400ps . then I used npt for 2ns. I saw a lot fluctuation in pressure .pressure is 1bar.I used Rahman ....barostat. is my procedure correct? what is the suitable fluctuation around pressure?what is the number of compressibility isotherm of MDEA? 
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