Hi,
I am trying to run an NVT simulation allowing to move only a part of the atoms.
I have created a group in a first script, where I minimize its structure.
Do I have to create the group again in the other script, or it remains created in the .rst files???
thanks
Alex
Group info is in the restart files, but fix info
is not. Thus you need to respecify the fixes
you want on any groups. One exception is
that a fix like NVT stores some info in the
restart file, so that it can be restarted and
continue on as before. But that doesn't sound
like what you are doing. See the fix nvt doc
page for details.
Steve