From: Leonardo Sepulveda Durán (leonardosepulveda_at_gmail.com)
Date: Tue Aug 30 2005 - 07:53:49 CDT
Maybe you have to minimize again the system without any fixed atom
after minimizing waters first, if you make a dynamics without
minimizing the protein some strain can make your simulation to blow
up. I haven't used Reasign temp to incrase temperature slowly as
simulating annealing, nevertheless it seems to be ok.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:06 CST