[gmx-users] Problem during equilibration using semi-isotropic pressure coupling

ARNAB MUKHERJEE arnabmukherjee249 at gmail.com
Thu Oct 11 10:52:54 CEST 2018

Hi Justin,

Thank you very much for your reply. I would try also position restrain
instead of freezing. But it is still strange to me why I got average
pressure of 1 bar after running only for 5 ns for the completely frozen
finite DNA when I did isotropic pressure coupling. But for the infinite
frozen DNA with semi isotropic pressure coupling it shows problem.

Thank you very much,



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