Hi!
I am running a DoS calculation using g_dos on 5.0.6 version, using the .tpr used to generate a .trr trajectory. Hence, the topology and index should contain the same number of atoms and I confirmed this by looking the number of atoms on the generated .gro. Still, I got the error: Command = *g_dos_506 -s ani.DOS.tpr -f ani.DOS.trr -beginfit 20 -endfit 40 -T 298 -dos ani.dos.xvg* *Reading file ani.DOS.tpr, VERSION 5.0.6 (single precision)Reading file ani.DOS.tpr, VERSION 5.0.6 (single precision)Group 0 ( System) has 14000 elementsGroup 1 ( Other) has 14000 elementsGroup 2 ( ANI) has 14000 elementsSelect a group: 0-------------------------------------------------------Program g_dos_506, VERSION 5.0.6Fatal error:Index contains atom numbers larger than the topology* Does anyone have an idea about it? 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.
