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

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Tue, 31 Jan 2012 11:49:47 +0100

Thanks for taking care of this. Let me know if we can provide more
information.

Jan-Philip

On 01/30/2012 11:32 PM, David A Case wrote:
> 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 Tue Jan 31 2012 - 03:00:03 PST
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