On 4/23/12 3:46 AM, Lara Bunte wrote:
Hi
that worked. I used
trjconv -n index.ndx -f my_molecule.pdb -o output
After this I got an trajectory file output.xtc
Now I have to get really a coordinate file, i.e. pdb file. I used the command
trjconv -s -f output.xtc -o output.pdb
to convert it to pdb, as I read it in this tutorial:
http://www.mpibpc.mpg.de/groups/de_groot/compbio/p1/index.html
But I got this error:
Can not open file:
topol.tpr
I don't have a topol.tpr file. How do I got my coordinates out of this .xtc
file?
Specify a .pdb file as the output of your original command.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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