From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Oct 27 2016 - 05:14:28 CDT
I'd like to implement the Tiger2A REMD via the TCL interface, using the
common API replicaSend/Recv etc. This would require to be able to turn on
and off fixed atoms and should also allow to change which atoms are fixed,
between run commands.
I know this is not possible so far, but I guess people would appreciate this
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