Re: [AMBER] Both positional and distance restraints

From: Damiano Spadoni <enxds6.nottingham.ac.uk>
Date: Mon, 18 Apr 2016 18:46:39 +0000

That was easier than the expected.

It does work.

Thank you for your help.

Damiano

________________________________________
From: David A Case [david.case.rutgers.edu]
Sent: 18 April 2016 12:31
To: AMBER Mailing List
Subject: Re: [AMBER] Both positional and distance restraints

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 - 12:00:05 PDT
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