[gmx-users] NVT + frozen groups

Valentin Gogonea v.gogonea at csuohio.edu
Wed Jul 10 01:11:41 CEST 2002

Hi gromacs users,

If I understood correctly, a system containing frozen groups must be 
simulated as NVT (with no pressure coupling) Is this correct?

I made a 200 ps simulation of myoglobin in water (no frozen groups) 
without pressure coupling. The pressure starts at 63 bar and drops at 
-500 bar. Do these pressure number have any meaning in a NVT simulation?

Thank you,


More information about the gromacs.org_gmx-users mailing list