From: Fugui (theoreticalchem_at_163.com)
Date: Sat May 11 2013 - 10:21:04 CDT
Dear NAMD users,
I tried to converse a coarsed grained protein structure into an all-atom protein structure by using VMD. Firstly, i used the coarsed grained structure and the all-atom structure which is original structure before the MD simulation to get a starting structure which is shown in the attached pdf file. There are several long C-C bond which can cause problem in the annealing simulation in the next step. Did anyone meet the problem before?
Any suggestion is appreciated.
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:11 CST