[gmx-users] Decrease position restraints force constant on the fly

Dawid das addiw7 at googlemail.com
Mon Mar 12 15:37:59 CET 2018

Dear Gromacs Users,

Is possible to decrease force constant for position restraints as the MD
simulation progresses? For instance I start with 1000 kJ/(mol *nm2) and
after 20 ps I go
to 800 kJ/(mol*nm2), then after 20 ps to 600 kJ/(mol*nm2), etc.?

Best wishes,
Dawid Grabarek

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