Dear all, I have obtained coarse grained potentials for polybutadiene using IBI and run a simulation. All my coarse grained potentials matched the target distribution within '0.01' limit. However after a coarse grained NPT run, my CG polymer density is very less. all atom density: 850 kg/m^3 and CG density=540 kg/m^3.
I have used pressure corrections during IBI potential calculation. Any idea on how to get desired polymer density. I have heard of ramp correction. What is it. Would it help and any example on how it is set up. Thanks, Pragati -- 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/CAMpF9Q3K8JKd6UQrrXP31MX0QkOj%2BAs_hyz5xUbLg558GJtg2Q%40mail.gmail.com.
