Dear Gromacs Users!
In the gromacs-4.6 version I have some problems with the trp files obtained after reduction of atom subset via tpbconv -f initial.tpr -n index -o reduced.tpr where in index file reduced atom sub set was defined ( e.g c-alpha atoms from the protein only ) then I'm using g_Covar to calculate covariance matrix from my trajectory also with reduced atom subset and obtain error g_covar -f xz.xtc -s reduced.tpr -o EDA_eigenval.xvg -v EDA_eigenvec.trr -av EDA_average.pdb -tu ps Program g_covar, VERSION 4.6 Source code file: /home/own/Documents/distr/gromacs-4.6/src/gmxlib/mtop_util.c, line: 932 Software inconsistency error: Position restraint coordinates are missing the same error was obtained with other commands wich also require tpr file as the input How it could be filed? James -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists