<br><br><div class="gmail_quote">On Sat, Feb 21, 2009 at 5:01 PM, nitu sharma <span dir="ltr"><<a href="mailto:sharmanitu35@gmail.com">sharmanitu35@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear all,<br><br> Thanks for solving my problem but again I have one more problem when I put the pdb2gmx command it shows error like this <br><br>"Program pdb2gmx, VERSION 3.3.2<br>Source code file: futil.c, line: 345<br>
<br>File input/output error:<br>eiwit.pdb <br><br> I am downloading version 4.0.3 but why it shows 3.3.2 and what is the meaning of "File input/output error eiwit.pdb "<br></blockquote>
<br>Every gromacs executable has a format in which it expects a series of input and output files, however in most of the cases it assumes the default names, it is always better to have your own nomenclature for files.<br>
<br>To know the input sequence for an executable, go through the documentation or try running it without any option. What follows is a table mentioning the options, default filename, type (input/output) and description. The executable definitely expects the input/output files (except the opt. ones). Executing with proper options will not generate such error.<br>
<br>Again go through the documentation and try running scripts in <gromacs directory>/share/tutor/ for practice.<br><br>Regarding version issue, you have to remove the older installation and freshly install the new one.<br>
<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">could you please let me know about that.<br>
<br>Thank you very much in advance .<br>
<br>Nitu Sharma <br><br>Structural Biology lab <br>school of life Sciences <br>Jawaherlal nehru university<br>New delhi, India.<br>
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