Re: [AMBER] cpptraj Tutorial C1

From: George Tzotzos <gtzotzos.me.com>
Date: Fri, 03 Oct 2014 15:36:40 -0300

Following up on the earlier message, if I create an input file rms.in

trajin trpzip2.gb.nc
rms ToFirst :1-13&!.H= first out rmsd1.agr mass

and then run

cpptraj trpzip2.ff10.mbondi.parm7 rms.in

rmsd1.agr is generated and xmgrace opens it without problems

Is there an explanation for this

Thanks again

George

On 3Oct, 2014, at 3:25 PM, George Tzotzos <gtzotzos.me.com> wrote:

> Iíve tried to find answers to this problem in the archive to no avail.
>
> Iím following the above tutorial (Calculating RMSD) and when I try to run xmgrace rmsd1.agr I get "Can't stat file rmsd1.agrĒ.
>
> The problem is that xmgrace runs. While still in the same shell and the same directory, if I throw another file xmgrace runs
>
> Any ideas to explain this would be most welcome
>
> Regards
>
> George
>
>
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Received on Fri Oct 03 2014 - 12:00:02 PDT
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