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

From: Biao Ma <jackyma1981.gmail.com>
Date: Wed, 25 Sep 2013 14:04:55 +0900

Thanks Dan.

I will try to recompile AmberTools, is it ok to overwrite the current
compiled files in $AMBERHOME/AmberTools?

Jacky


On Wed, Sep 25, 2013 at 1:18 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> 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)
>
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Received on Tue Sep 24 2013 - 22:30:02 PDT
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