Dear amber users,
I try to use roar (QM/MM) to simulate a solvent in a box of water. Since
constant temperature/constatn pressure (NTP) is not supported in the
QM/MM code, I only used constant temperature/constant volume (NTV) for
equilibration and product simulation. However, It was shown that the box
became deformed during the simulation. Is there something wrong?
Regards.
Yanni
Received on Wed Feb 21 2001 - 01:34:47 PST
