Thank you for the help. It works now. My mistake was in my settings.xml ( I had an extra </nonbonded> in the file). However, I also faced another problem. The problem now is that, suppose I have two beads namely A1 and B1. I have given dis.tgt for A1-B1. It is still asking me B1-A1 tables too. Do I need to have both interactions? A1-B1 and B1-A1 interactions mentioned?
On Monday, February 27, 2017 at 3:39:09 PM UTC-6, Christoph Junghans wrote: > > 2017-02-27 13:35 GMT-07:00 Bijay Shrestha <[email protected] > <javascript:>>: > > Hi there, > > I had obtained bonded tabulated potentials for our study molecule using > > csg_boltzmann. Then using the tables of bonded potential, I am working > on > > the non-bonded interaction using csg_inverse. For this, I have edited > the > > settings.xml and grompp.mdp, topol.top of propane tutorial for our > system. I > > compared my files with the propane systems files for ibi run. However, > when > > I ran the csg_inverse --options settings.xml, it terminates > > (prints"Terminated") without any error message or inverse.log. Could you > > help me answering what could I have been missing? > 1.) Does the original tutorial work? (If not it might be a computer > system issue). > 2.) Make sure your settings.xml is a valid xml, check that with > $ xmlwf settings.xml > 3.) Run csg_inverse in debug mode: > $ csg_inverse --debug --options settings.xml > > Christoph > > > > -- > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- 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.
