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

[Justin Lemkul]

On 3/12/18 10:37 AM, Dawid das wrote:
> 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.?

No, you have to do individual simulations with different force constants.

-Justin

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Justin A. Lemkul, Ph.D.
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