[gmx-users] error in editconf step

[priyam saxena]

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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