Hi,
I assume this is the part of the tutorial you are referring to:
"Start the trajectory processing by typing 'run'. Once the run has
completed, if xmgrace is installed you can view the output right from
the CPPTRAJ command line:
> xmgrace rmsd1.agr"
Do you actually type 'run' before trying to run 'xmgrace'?
-Dan
On Fri, Oct 3, 2014 at 12:36 PM, George Tzotzos <gtzotzos.me.com> wrote:
> 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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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Fri Oct 03 2014 - 12:00:03 PDT
