From: Sibel Cakan (sibelc_at_stu.khas.edu.tr)
Date: Thu Mar 31 2011 - 03:51:57 CDT
Dear all
I have performed a CG MD simulation of a protein which is embedded in a membrane.Now I am trying to reverse coarse-grained into all atom structure using the CG Tools plugin in VMD 1.8.7 for comparing CG simulation results with all-atom simulation.
But the reversed structure have some unusual bonds (like a triangle,etc.) .I tried to reverse initial CG structure before MD was done and this worked there are not unusual bonds or anything else.
Any suggestion would be appreciated.
Thank you
Sibel
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:03 CST