Re: [AMBER] compiler-dependent error: "Invalid atom or grouping specified in restraint."

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 30 Jan 2012 17:32:09 -0500

On Mon, Jan 30, 2012, Jan-Philip Gehrcke wrote:
>
> we've reduced the test case to having the `rest` file only contain
>
> > &rst
> > iresid = 0,
> > restraint = "torsion [:70.C1, :70.O5, :70.C5, :70.C4]",
...

We're looking into this. It seems to work fine with gcc 4.4 and 4.5; I'm
setting up a vitural machine with gcc 4.6 to see if I can get a reproducible
failure. Thanks for sending the test case.

....dac


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Received on Mon Jan 30 2012 - 15:00:03 PST
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