[AMBER] query regarding restraint_wt

From: Leena Aggarwal <leena.hrc.gmail.com>
Date: Thu, 14 Dec 2017 15:27:34 +0530

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.

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Received on Thu Dec 14 2017 - 02:00:02 PST
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