From: oguz gurbulak (gurbulakoguz_at_yahoo.com)
Date: Wed Jan 18 2012 - 02:06:19 CST
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 ?
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