question about NPT

From: oguz gurbulak (
Date: Wed Jan 18 2012 - 02:06:19 CST

Dear All, I performed md simulations in NPT ensamble and  got -1000 atm pressure value for the system. My aim is to find 1 atm pressure value instead of a negative pressure value.  Isthis problem indicates that the force field I use is not appropriate for my system ? or Isthisa problemcaused bythe langevin parameters ? whythe system did not reach the target pressure value? Could you please share your thoughts about this problem ? Kind regards.

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