[gmx-users] How to decide the PRESSURE COUPLING CONSTANT VALUES and TEMPERATURE COUPLING CONSTANT VALUES
sanjeet kumar singh ch16d012
ch16d012 at smail.iitm.ac.in
Sat Feb 17 15:21:34 CET 2018
I am preparing an amorphous sample using GROMACS but i am not
able to get the required density of the amorphous polymer.
I am having reasonable force field parameters and compressibility factors
values. So i am thinking that there must be some error with the coupling
constant values of Temperature and pressure but i don't know how to set
them. Glad if someone could help me out.
More information about the gromacs.org_gmx-users