Re: [gmx-users] Viscosity using periodic perturbation method

2009-05-27 Thread Yanmei Song
> Strictly speaking it might be incorrect, but since pressure scaling is > usually less than 1% > it will not affect your results significantly. > > Berk. > > -- > Date: Mon, 25 May 2009 15:19:10 -0700 > From: yson...@asu.edu > To: gmx-users@

Re: [gmx-users] Viscosity using periodic perturbation method

2009-05-26 Thread Yanmei Song
May 2009 15:19:10 -0700 > From: yson...@asu.edu > To: gmx-users@gromacs.org > Subject: [gmx-users] Viscosity using periodic perturbation method > > > Dear users: > > I was trying to calculate the viscosity of liquid system using periodic > perturbation method. Does thi

RE: [gmx-users] Viscosity using periodic perturbation method

2009-05-26 Thread Berk Hess
@gromacs.org Subject: [gmx-users] Viscosity using periodic perturbation method Dear users: I was trying to calculate the viscosity of liquid system using periodic perturbation method. Does this method require NVT ensemble simulation in stead of NPT ? Because I read some literature on periodic perturbation

[gmx-users] Viscosity using periodic perturbation method

2009-05-25 Thread Yanmei Song
Dear users: I was trying to calculate the viscosity of liquid system using periodic perturbation method. Does this method require NVT ensemble simulation in stead of NPT ? Because I read some literature on periodic perturbation method. they all used NVT. I did not found any information about this