Re: [AMBER] How to do clustering analysis by ptraj?

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 24 Sep 2013 10:18:38 -0600

Hi,

On Tue, Sep 24, 2013 at 2:30 AM, Biao Ma <jackyma1981.gmail.com> wrote:
> Fatal Error: This program was not built to run on the processor in your
> system.
> The allowed processors are: Intel(R) processors with Swing New Instructions
> support.
>
> maybe I should reinstall the AmberTools.

Yes, you need to recompile cpptraj for the architecture you will be working on.

> So, I use ptraj with 2drms command
>> > trajin mdcrd 1 32500 25
>> > 2drms out 2drms.gnu :2-103.CA
> and product a 2drms.gnu file, that has some data, but I don't understand
> the means of the data.

Ptraj produces postscript (PS) output from the 2drms command. Native
gnuplot output is only supported by cpptraj.

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Sep 24 2013 - 09:30:02 PDT
Custom Search