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Dear Sir/Madam,<br><br>I am trying to do the following analysis with GROMACS:<br><br>/usr/local/gromacs/bin/g_covar -s my.pdb -f my.netcdf -o -v<br><br>However, I found the following error message:<br><br>---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------<br>GROMACS will now assume it to be a trajectory and will try to open it using the VMD plug-ins.<br>This will only work in case the VMD plugins are found and it is a trajectory format supported by VMD.<br><br>VMD_PLUGIN_PATH not set. Using default location:<br>/usr/local/lib/vmd/plugins/*/molfile<br><br>Could not open any VMD library.<br>Last error:<br>/usr/local/lib/vmd/plugins/LINUXAMD64/molfile/xyzplugin.so: wrong ELF class: ELFCLASS64<br><br>-------------------------------------------------------<br>Program g_covar, VERSION 4.5.5<br>Source code file: trxio.c, line: 870<br><br>Fatal error:<br>Not
supported in read_first_frame: D1_md7to23.netcdf<br>For more information and tips for troubleshooting, please check the GROMACS<br>website at http://www.gromacs.org/Documentation/Errors<br>---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------<br><br>However, when I double check my /usr/local/lib/vmd/plugins/LINUXAMD64/molfile directory, I can see netcdfplugin.so file.<br><br>Why the file cannot recognize to use netcdfplugin.so file to read my.netcdf file, but instead trying to use the xyzplugin.so file?<br><br>I have also set the following path in .bashrc file already.<br>VMD_PLUGIN_PATH=/mydirectory/vmd/lib/vmd/plugins/LINUX/**molfile<br><br>Did I do anything wrong?<br><br>Best regards,<br><br>Catherine <br><br><br> </div></body>
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