Re: problem when heating the system

From: Leonardo Sepulveda Durán (
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.


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