[gmx-users] Pressure and restrains in NVT

[Johannes Hermann]

Dear all,

when using position restrains the pressure in NPT ensemble is only well 
defined when reference coordinates are scaled along with the system 
(refcoord-scaling=all).

My question: Is the pressure well defined when I use position restrains 
in NVT? Or does the calculated pressure has no physical meaning?

Thanks!

All the best
Johannes