AMBER Archive (2006)

Subject: Re: AMBER: Related to RESTRAINT_WT

From: David A. Case (case_at_scripps.edu)
Date: Wed Mar 22 2006 - 18:15:29 CST

On Wed, Mar 22, 2006, snoze pa wrote:

> Is is possible to use restrained md using following command.
> RESTRAINT_WT = 10.0, restraintmask=':1,76'
> Which means restrained weight of 10 and atoms in all residues from 1
> to 76 are frozen.

The mask ':1,76' will affect residues 1 and 76 (only) ; the mask ':1-76' will
affect all residues between 1 and 76 (inclusive).

If you have any questions about what is being chosen, use the ambmask
routine to refine your request.

...dac

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