[gmx-users] NVT + frozen groups
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?
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