Hi try the below command. in your command you have _d in the editconf which is unnecessary. hope it works<br><br>editconf -f K2496T.gro -o boxx.gro -bt cubic -d 0.5<br><br>Regards<br>Vinoth<br><br><div class="gmail_quote">
On Tue, Nov 9, 2010 at 11:28 AM, priyam saxena <span dir="ltr"><<a href="mailto:priyams18@gmail.com">priyams18@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hey everybody,<br><br>Eveytime I use the editconf command, it gives an input/output error in form of my output.gro file.<br><br>This is the command i've used:<br><br>editconf_d -f K2496T.gro -o boxx.gro -bt cubic -d 0.5<br>
<br>Following is the error generated:<br><br>Read 7269 atoms<br>Volume: 972.45 nm^3, corresponds to roughly 437600 electrons<br>No velocities found<br> system size : 11.092 14.601 6.004 (nm)<br> diameter : 15.729 (nm)<br>
center : 4.884 10.276 -1.814 (nm)<br> box vectors : 11.093 14.601 6.004 (nm)<br> box angles : 90.00 90.00 90.00 (degrees)<br> box volume : 972.45 (nm^3)<br> shift : 3.480 -1.911 10.179 (nm)<br>
new center : 8.365 8.365 8.365 (nm)<br>new box vectors : 16.729 16.729 16.729 (nm)<br>new box angles : 90.00 90.00 90.00 (degrees)<br>new box volume :4681.89 (nm^3)<br><br><span style="color: rgb(255, 0, 0);">Source code file: futil.c, line: 458</span><br style="color: rgb(255, 0, 0);">
<br style="color: rgb(255, 0, 0);"><span style="color: rgb(255, 0, 0);">File input/output error:</span><br style="color: rgb(255, 0, 0);"><span style="color: rgb(255, 0, 0);">boxx.gro</span><br><br>I tried using different output file name and simply -o. but stil the error remains.<br>
<br>Please help!<br><br>
<br>--<br>
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