Re: [AMBER-Developers] Another sleap complaint - Assertion failed

From: Ben Roberts <>
Date: Thu, 18 Mar 2010 12:02:40 -0400

On 18/3/2010, at 1:04 a.m., Scott Brozell wrote:

> assertions are used to validate the assumptions for a particular piece
> of code. The one triggered is a precondition in the language here:

Yes, as I was told by knowledgeable people here at QTP also.

> Basically function
> numvec impose( std::vector< numvec > srcpos, ...
> is checking that it is being fed an xyz position vector.
> Apparently, something higher up in the call chain is not handling
> the spurious ter card situation.
> Wei will probably quickly fix this input situation.

Yes, that's a sensible check, and I have confidence that Wei can
address the underlying problem quickly.

As an aside, I found out why the spurious TER card arose - it was
because I had prepared a pdb using a prmtop made by tleap, and
tleap's solvateOct command can do interesting things to the order
of chains in the ATOMS_PER_MOLECULE flag. One area in which sleap
clearly trumps tleap.

>> My input is available for inspection at
> no workie:
> You don't have permission to access /roberts/files/BPR-20100317-002/ on this server.

My bad. I forgot a necessary ~.



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Received on Thu Mar 18 2010 - 09:30:02 PDT
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