[gmx-users] Help:A question about simulation of NPT System

[pqchen at eyou.com]

Dear All,
  Recently I want to perform molecular dynamic simulation of in a CCl4
solvents box.The simultaions I performed will be in the
isothermal-bsobaric(NPT) ensemble at 298K and 1 atm.
  I want to ask how to defined the tau-temperature(Temperature coupling) and
tau-pressure(Pressure coupling).Is tau-temperature=0.1 reliable?which value is
 the tau-pressure I could use.
   Thanks in advance!
   Best Wish
   Peiquan Chen
   Nankai University
   Tianjin;P.R.China





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