Hey everybody,
Eveytime I use the editconf command, it gives an input/output error in form
of my output.gro file.
This is the command i've used:
editconf_d -f K2496T.gro -o boxx.gro -bt cubic -d 0.5
Following is the error generated:
Read 7269 atoms
Volume: 972.45 nm^3, corresponds to roughly 437600 electrons
No velocities found
system size : 11.092 14.601 6.004 (nm)
diameter : 15.729 (nm)
center : 4.884 10.276 -1.814 (nm)
box vectors : 11.093 14.601 6.004 (nm)
box angles : 90.00 90.00 90.00 (degrees)
box volume : 972.45 (nm^3)
shift : 3.480 -1.911 10.179 (nm)
new center : 8.365 8.365 8.365 (nm)
new box vectors : 16.729 16.729 16.729 (nm)
new box angles : 90.00 90.00 90.00 (degrees)
new box volume :4681.89 (nm^3)
Source code file: futil.c, line: 458
File input/output error:
boxx.gro
I tried using different output file name and simply -o. but stil the error
remains.
Please help!
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