Re: AMBER: DNA Tutorial

From: David A. Case <>
Date: Mon, 21 Feb 2005 15:52:21 -0800

On Mon, Feb 21, 2005, Dwayne Hoobler wrote:

> 2) specs of my machine:
> processor - 24 & 64 bit Opteron 2.0 GHz
> compiler - PGI Fortran 5.1
> operating system - linux-2.4

What C compiler do you use? There are tons of reports in the mailing list
about problems with the PGI compiler, especially on 64-bit systems. But no
one has ever really been able to track them down.

> For the addions command, the output printed on the
> xleap window is identical to that in the tutorial, but
> when I check the file polyAT_cio.inpcrd, the y and z
> coordinates of the ions are all zero.

If you haven't done so, try compiling ptraj with gcc, and see if that helps.
Or maybe someone else on the list actually has a real answer to this problem.

....good luck...dac

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Received on Tue Feb 22 2005 - 00:53:01 PST
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