Hello,
I found there is no way to specify a group-ID for minimization.
Is there some alternative way to minimization just a part of the whole
system?
Like several selected molecules?
Thanks!
link
Hello,
I found there is no way to specify a group-ID for minimization.
Is there some alternative way to minimization just a part of the whole
system?
Like several selected molecules?
Thanks!
link
Set the force on the atoms to 0.0 that you
don't want to move. See fix setforce.
Steve