Turning off and back on fixed atoms

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


Best wishes


Norman Geist

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