[gmx-users] Do i need to put POSITION RESTRAINT DURING EQUILIBRATION STAGE ( NVT&NPT ) if i am preparing an amorphous sample?

sanjeet kumar singh ch16d012 ch16d012 at smail.iitm.ac.in
Fri Feb 9 13:34:48 CET 2018

Hi list,

I am preparing an amorphous sample using GROMACS but i am in doubt that
during the equilibration stage ( NVT & NPT ) do i need to put position
restraint on my polymer as there are no solvent in my system and if i have
to use position restraint then why i should do that?


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