AMBER Archive (2008)

Subject: RE: AMBER: "Dumping RAW 2D RMS data is not yet implemented"?

From: Steve Spronk (spronk_at_umich.edu)
Date: Tue Jun 17 2008 - 10:54:04 CDT

You were exactly right. Now that I'm calling the correct version of ptraj,
it works perfectly fine. Isn't my face red? Thank you very much, Dr. Case.

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
David A. Case
Sent: Tuesday, June 17, 2008 11:18 AM
To: amber_at_scripps.edu
Subject: Re: AMBER: "Dumping RAW 2D RMS data is not yet implemented"?

On Tue, Jun 17, 2008, Steve Spronk wrote:

> When I grep for "RAW 2D RMS" in any of the ptraj
> programs, nothing is found. When I grep "not implemented" in the ptraj
> programs, there are four lines found but none of them are related at all
to
> the 2D rms data.

Sounds like you are still running Amber9 ptraj (or some other earlier
version). The phrase "RAW 2D RMS" *is* present in the amber9 sources (in a
message saying that this is not yet implemented), but is no longer present
in
AmberTools sources.

Check your PATH variable, or type "which ptraj".

...dac

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