AMBER Archive (2009)

Subject: Re: [AMBER] 2 restraints with different force constants

• Previous message: Karl Kirschner: "Re: [AMBER] bond length energy"
• In reply to: Aust, Susanne: "[AMBER] 2 restraints with different force constants"
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On Fri, Jun 19, 2009, Aust, Susanne wrote:
>
> How I can combine these restraints with different force constants (active
> site = frozen (restrainted_wt=50) and rest of protein restrained_wt=10)?

I think if you use the group input (not the "mask" parameters, and
restraint_wt), you can just set different weights for different groups.
Run an experiment to see what happens.

Note that there will probably be a negligible difference between a restraint
weight of 50 and one of 10 -- both are quite strong and will essentially not
allow more than minimal movement.

...dac

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• Previous message: Karl Kirschner: "Re: [AMBER] bond length energy"
• In reply to: Aust, Susanne: "[AMBER] 2 restraints with different force constants"
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