Re: [AMBER] query regarding restraint_wt

From: Bill Ross <>
Date: Thu, 14 Dec 2017 02:15:21 -0800

It sounds like sitting in the car in the parking lot with the seatbelt
on while the family goes in to Disney Land, but it shouldn't be what
makes your taxes go up.

Is there some reason you want to keep things rigid in that region?

On 12/14/17 1:57 AM, Leena Aggarwal wrote:
> Dear Amber Users
> How to decide the restraint_wt?
> I have tried with different restraint_wt values. More restraint_wt means
> more tightly restrained. RMSD of the restrained coordinates becomes more
> close to 0 as restraint_wt increases. In my system restraint_wt=9500 gives
> RMSD more close to zero.
> Is there any disadvantage of taking so large value of restraint_wt.
> Thanks
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Received on Thu Dec 14 2017 - 02:30:02 PST
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