Hi all! I've been running gmx dos (version 5.0.4) in some trajectories with the following:
echo BEN | gmx_504 dos -s ben.DOS.tpr -f ben.DOS.trr -g ben.log -dos dos.xvg -vacf vacf.xvg -mvacf mvacf.xvg and it runs just fine. But when I run the same line with 5.0.6, I get: *-------------------------------------------------------Program gmx_506, VERSION 5.0.6Source code file: /home/marcelodepolo/Downloads/BACKUP-softwares/gromacs-5.0.6/src/gromacs/gmxana/gmx_dos.c, line: 93Fatal error:Index contains atom numbers larger than the topology* Did anyone already come across this? Cheers! -- Marcelo Depólo Polêto Group of Structural Bioinformatics - Center of Biotechnology Student of MSc Cell and Molecular Biology - UFRGS (Brazil) B.Sc. Biochemistry - University of Viçosa (Brazil) -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
