Re: AMBER: NAB examples

From: David A. Case <case.scripps.edu>
Date: Mon, 7 Apr 2008 09:26:58 -0700

On Mon, Apr 07, 2008, Hu, Shaowen (JSC-SK)[USRA] wrote:

> I compiled with nobintraj option. But the file I obtained is not
> readable as AMBER.

NAB writes trajectories in "binpos" format. This is really kind of obsolete,
and should be changed. But for now, you should be able to use ptraj to read
in and analyze these trajectories, or to convert them to some other format.

...good luck...dac

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Received on Fri Apr 18 2008 - 21:17:39 PDT
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