Re: [AMBER] Both positional and distance restraints

From: David A Case <david.case.rutgers.edu>
Date: Mon, 18 Apr 2016 07:31:18 -0400

On Wed, Apr 13, 2016, Damiano Spadoni wrote:

> Hold SAM and PLP
> 50.0
> RES 1641 1642
> END
> Hold SAM and PLP
> 50.0
> RES 1645 1646
> END
> Hold SAM and PLP
> 50.0
> RES 1649 1650
> END
> Hold SAM and PLP
> 50.0
> RES 1653 1654
> END
> END

Try removing the space in column 1 of these cards. You should also be able
to simplify this input:

Hold SAM and PLP
50.0
RES 1641 1642 1645 1646 1649 1650 1653 1654
END
END

...hope this helps...dac


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Received on Mon Apr 18 2016 - 05:00:03 PDT
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