[gmx-users] pressure coupling without pbc
MURAT OZTURK
murozturk at ku.edu.tr
Wed Oct 9 13:57:11 CEST 2013
Hello,
I have read somewhere in the list that I cannot do pressure coupling
without pbc.
What I essentially need is a box with impermeable walls, that get smaller
as the simulation proceeds.
I do anisotropic pressure coupling with two impermeable walls (in xy axis)
for another simulation, and it works.
I basically need 4 more walls and isotropic pressure coupling, is this
entirely impossible in GROMACS?
Thanks,
Murat
More information about the gromacs.org_gmx-users
mailing list