Dear Votca Users,
I am trying to figure out an error message from IBI run. The error message is This run will generate roughly 152 Mb of data csg_get_property: No value for 'cg.inverse.gromacs.mdrun.command' found in /work/02271/huddack/CGPROJECT/2_DGEBAJD230/4_CG_PRS_JD2000/tmp/settings_pressure.xml, trying /home1/02271/huddack/votca_install/share/votca/xml/csg_defaults.xml csg_get_property: value for 'cg.inverse.gromacs.mdrun.command' from /home1/02271/huddack/votca_install/share/votca/xml/csg_defaults.xml: gmx mdrun run_gromacs.sh: No walltime defined, so no time limitation given to gmx mdrun csg_get_property: No value for 'cg.inverse.gromacs.log' found in /work/02271/huddack/CGPROJECT/2_DGEBAJD230/4_CG_PRS_JD2000/tmp/settings_pressure.xml, trying /home1/02271/huddack/votca_install/share/votca/xml/csg_defaults.xml When I have the *same grumpp.mdp* and different mapping scheme, it works fine. For example, I have 2 bead types of 3 beads in a molecule, and another molecule has 3 bead types of 5 beads. However, when I have 4 bead types of 7 beads, and another molecule has 3 bead types of 5 beads (this is the same molecule), IBI run has the error above. I do not think that the mapping scheme would result in the error. Please give me some comments. Best regards, Changwoon Jang, -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
