AMBER Archive (2008)

Subject: Re: AMBER: distance restraint in minimization

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Dec 16 2008 - 13:57:44 CST

On Tue, Dec 16, 2008, Taufik Al-Sarraj wrote:
>
> Is it possible to have a distance restraint (fix a bond or two) during a
> minimization?

Set nmropt=1, and follow the instructions in Section 6.1, "Distance, angle and
torionsal restraints." Some sample inputs are on pp. 193-194 of the Users'
Manual.

...dac

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