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From: Monika Madhavi (monikamadhavi_at_gmail.com)
Date: Fri Mar 06 2015 - 02:56:46 CST
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Dear all
I want to select all the atoms in my simulation box and select some N
number of atoms from it. I want to select the atoms from my trajectory,
mytraj.dcd file. I wrote a tcl script "trace.tcl" which contains a
procedure called "trace" which takes N as the argument.
This is the structure of trace.tcl
proc trace {N} {
set sel [atomselect top all]
set dim [measure minmax $sel]
......................
some more steps..............
}
in vmd I loaded my .dcd file and .psf file and then in Tkconsole I typed
source trace.tcl
trace 10
this gives me an error "measure minmax: no atom selection"
I cannot understand why I get this error and how to stop that. I am very
grateful to anyone who can help.
Thank you.
Regards,
Monika
-- W.A.Monika Madhavi Lecturer (Probation), Department of Physics, University of Colombo.
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