Re: [AMBER] cpptraj Tutorial C1

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

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

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

and then run

cpptraj trpzip2.ff10.mbondi.parm7

rmsd1.agr is generated and xmgrace opens it without problems

Is there an explanation for this

Thanks again


On 3Oct, 2014, at 3:25 PM, George Tzotzos <> 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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