I've rerun everything from scratch following Bert's input. The numbers seemed all right, but the runs still failed. Then I tried using just a subset of the eigenvectors, which has worked so far (i.e. it's running for about 1ns).
Bert and Lars - thanks a lot for your help, Ran. Bert de Groot wrote: > > then there's possibly some mixup between fitting reference and/or > selection > and/or the eigenvectors between g_anaeig and make_edi? > > Please make sure that group selections and reference groups (-s option > of make_edi, g_covar and g_anaeig) are identical. Check covar.log if > you're > not sure anymore which fitting structure/selection you chose for g_covar. > > If you still have problems, please feel free to contact me off-list > with a minimal > set of files with which the problem can be reproduced. > > cheers, > > Bert > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
