Dear Votca Users,
I have a simple question. I have run IBI for my own polymer system using csg_inverse --option setting.xml following votca tutorials. When I first ran IBI in my desktop, the iterations stopped at Step 5 with the following error. ------------------------------------------------------- Program gmx, VERSION 5.0.8-dev-20151014-1f04b58 Source code file: /home/chang/PACKAGE/votca/src/gromacs/src/gromacs/mdlib/domdec_top.c, line: 394 Fatal error: 2 of the 900 bonded interactions could not be calculated because some atoms involved moved further apart than the multi-body cut-off distance (1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for pairs and tabulated bonds also see option -ddcheck For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- Then, I re-ran the same IBI without changing anything in setting.xml and grompp.mdp files. It stopped 16 Step (Step 16) with error "1 of the 900 bonded ...". Is there a reason for this? Thank you. 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.
