Re: AMBER: supplement ptraj:problems with time correlation calculation (comp. with NMR experiments)

From: David A. Case <>
Date: Mon, 9 Apr 2007 07:56:56 -0700

On Sun, Apr 08, 2007, wrote:
> I forgot -when I try to calculate a corr vector for :x.CA and :x.HA, ptraj
> crashes with a segmentation fault.

We will need more details, like you exact input, plus the version of Amber,
etc. I do this sort of calculation all the time. Just saying you get a
segmentation fault doesn't help much in finding your problem.


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Received on Wed Apr 11 2007 - 06:07:21 PDT
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