Hi Amber Community:
I am trying to perform initial
heating/equilibration for 40 PS keeping the protein restrained. My
protein is a dimer. Based on past emails, I have set tempi = 150 K and
temp0 = 310 K and I am using Langevin dynamics for temperature
regulation. It seems to me my job is not fully done. Please find the
attached output file for details. I am unable to find which parameter
might have caused the problem.
THX
Deepa
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Received on Sun Jun 15 2008 - 06:07:13 PDT
