[gmx-users] Viscosity using periodic perturbation method

Yanmei Song ysong30 at asu.edu
Tue May 26 00:19:10 CEST 2009

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 on
the manual. Can I use NPT Non-equilibrium MD in order to use periodic
perturbation method? Thanks in advance!
Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090525/50a620c2/attachment.html>

More information about the gromacs.org_gmx-users mailing list