AMBER Archive (2006)

Subject: Re: AMBER: Question about LEAP and twisting a dihedral angle

From: David A. Case (case_at_scripps.edu)
Date: Sun Sep 03 2006 - 00:06:04 CDT

On Sat, Sep 02, 2006, Ilyas Yildirim wrote:

> The impose command does not work; it somehow
> changes the external coordinates of all of the atoms.

It would be helpful to post details of the problem. I'm not sure what you
mean by "external coordinates", but using the impose command is tricky, but
people in Rob Woods' group have figured a lot out about this. Maybe someone
could help if you gave details.

I don't think "twist" works from the command line.

...dac

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