[gmx-users] Question regarding coarse-graining martini

ali.khourshaei71 at student.sharif.edu ali.khourshaei71 at student.sharif.edu
Tue Feb 28 21:11:02 CET 2017

Dear Gromacs users, 

1. Through a stage of my thesis ( through which I'm using coarse-grained
martini), I'm monitoring the change of the pressure of the system and
this quantity experience a noticeable amount of changes. So, due to the
fact that system experiences a large amount of pressure change, to the
best of my knowledge I think using parrinello-rahman through the
simulation is out of question and I have to use berendsen barostat
coupling. Is this conclusion wrong? 

2. In case I want to compare the result of All-atom and coarse grain, is
there any general relation between the parameters of the simulation (
such as tau-p, tau-t and So on) ? 

Eagerly looking forward to hear back from you. 

yours sincerely, 


More information about the gromacs.org_gmx-users mailing list