Dear Sir, I am practicing the votca tutorial for propane molecule. I am trying to generate .itp file of CG propane. For that I used the command line: csg_gmxtopol --topol.tpr --cg propane.xml --out cg.top, then obtained the top file. But, there bond length and angle value between the beads is not mentioned. How to get those bonded information of the beads so that, I can run GROMACS simulation of the CG system ?
Also, I have gone through the topol.top file of the system using "ibi", "imc" methods. But, there I dint understand how to use the function type for the bonds, angles and how non-bonded settings is decided ? Thanks & Regards Kankana Bhattacharjee -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/d54cdf42-089b-455e-892e-ce99327c7184n%40googlegroups.com.
