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:
> I’ve tried to find answers to this problem in the archive to no avail.
>
> I’m following the above tutorial (Calculating RMSD) and when I try to run xmgrace rmsd1.agr I get "Can't stat file rmsd1.agr”.
>
> 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
