Re: [AMBER] Shake errors

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 12 Oct 2010 11:48:07 -0700

> Now I am getting seg fault errors running with no shake and an NTP
> simulation!?

You could save each step to mdout and see if energies ramp up
first. That's what one might expect running with water and no
shake, per earlier explanation.

Bill

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Received on Tue Oct 12 2010 - 12:00:03 PDT
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