[gmx-users] Setting restrain strength to be changed by time
nukaemon at gmail.com
Mon Feb 5 11:36:06 CET 2018
Dear gromacs users
I'm wondering if there is a way to set restrain strength to be
changed(gradually decreased) as time goes.
I want to do that when performing simulated annealing where restrains are
fully applied to specific atoms during temperature increase but desirable
to be gradually released to zero as temperature goes down.
I thought it could be done by doing something similar to simulated
annealing setting but couldn't find.
I appreciate if someone knows how to do that in Gromacs.
Thanks in advance.
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