Dear gmx users,
I' d like to get pdb files from trajectory, then used the trjconv,
# trjconv -f trajout.xtc -o out.pdb -sep
It gives fatal error as this:
Can not open file:
topol.tpr
Sincerely,
Shima
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gmx-users mailing listgmx-users@gromacs.org
Hi Shima,
You need to give a reference structure with the -s option. Otherwise the
program assumes you mean to use topol.tpr, which isn't present.
Cheers,
Tsjerk
On Sun, Jul 7, 2013 at 11:51 AM, Shima Arasteh
shima_arasteh2...@yahoo.comwrote:
Dear gmx users,
I' d like to get pdb files
Dear Shima
What is the name of your .tpr file?
If you had not chosen any name for it, Gromacs will generate a
topol.tpr for you and in my idea this error will not occur,
if not, you have to mention your file (e.g. Filename.tpr) explicitely
in your command line!
I hope this help you
Best
On Sun,
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