[gmx-users] NPT with md-vv + Nose-Hoover + Parinello-Rehman

tarak karmakar tarak20489 at gmail.com
Tue Nov 6 09:41:31 CET 2012

Dear All,

While performing  NPT simulation, I was trying to use md-vv +
Nose-Hoover + Parinello-Rehman . While doing so it is showing the
following string

"NPT only defined for vv using Martyna-Tuckerman-Tobias-Klein equations "

But I do not want to use MMTK rather want to use explicitly the
Parinello-Rehman barostat for my system.

So could anyone please inform me how to deal with this issue ?


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