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