[gmx-users] uni axial deformation with semi-isotropic pressure coupling at 1 bar

Pragati Sharma pragati2325 at gmail.com
Fri Feb 28 13:29:43 CET 2020


Dear all,

While using 'deform' option for elongation in Z direction, I have set the
compressibility  to  zero. Should I set pressure in z direction also zero
(ref_p =0 ) or 1  in that direction.

I need to extract -Pzz for plotting stress-strain.

Thanks


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