Hi Votca Development team, I am trying to validate the coarse grained bond distributions against the all-atom bond distributions. In my case, the bond.dist.tgt file ( dumped by using csg_stat on all atom files) gives different results as compared to using my own analysis tool. I am assuming the bond.dist.tgt files have been generated using a Center of Mass framework for all coarse grained fragments. Also, I used the GROMACS analysis tool to find the bonded distribution in the all-atom model. The result turned out to be very different from bond.dist.tgt.
Please help me understand how bond.dist.tgt is derived. This information would help me validate distributions between AA and CG scales. Thank you for your help in advance. Kind Regards, Akash -- 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/6c2ac9ed-5acb-4f3e-a267-9a1a43884224%40googlegroups.com.
