Dear votca user, I am using the 1.3-dev version of version. I want to iterated the bond potential for my system. In doing so, I use the tabulated bond potential (table_b0.xvg) as the guess potential for the bonds. For angles, I generate tabulated angle potential. I use the table_A_A.xvg, table_A_B.xvg ..... as the non-bonded potential.
When I just do the iteration of non-bonded part, my cg simulation proceeds smoothly. Problem occurs, when I try to incorprate the interation on bonded part. The simulation stops with the following error Fatal error: A tabulated bond interaction table number 1 is out of the table range: r 28.719402, between table indices 14359 and 14360, table length 3126 For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors My initial coordinate is mapped from the atomistic trajectory. And this structure simulates without any problem when I only consider the non-bonded part. Any help/suggestion would be very helpful. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA -- 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 http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
