On Sat, Feb 21, 2009 at 5:01 PM, nitu sharma <[email protected]> wrote:
> Dear all, > > Thanks for solving my problem but again I have one > more problem when I put the pdb2gmx command it shows error like this > > "Program pdb2gmx, VERSION 3.3.2 > Source code file: futil.c, line: 345 > > File input/output error: > eiwit.pdb > > 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 " > 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. 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. Again go through the documentation and try running scripts in <gromacs directory>/share/tutor/ for practice. Regarding version issue, you have to remove the older installation and freshly install the new one. could you please let me know about that. > > Thank you very much in advance . > > Nitu Sharma > > Structural Biology lab > school of life Sciences > Jawaherlal nehru university > New delhi, India. > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -Manik Mayur -- Graduate student Microfluidics Lab Dept. of Mechanical Engg. IIT Kharagpur
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