Re: AMBER: Reg restraint value obtained during umbrella sampling

From: David A. Case <>
Date: Thu, 31 May 2007 12:17:53 -0700

On Thu, May 31, 2007, D.Usharani wrote:
> Number of restraints read = 1
> Done reading weight changes/NMR restraints
> ********************
> so from this it is understood there is one restrain considered, but
> throughout the simulation run there is no restraint value.

Try setting LISTIN=POUT in your input file: this will give more verbose
information about how that restraints have been interpreted.


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Received on Sun Jun 03 2007 - 06:07:27 PDT
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