From: karthik kumar (karthik3327_at_gmail.com)
Date: Sat Apr 13 2013 - 06:45:12 CDT
For calculation of dimerization free energy, ABF can be ran in two ways.
1) total reaction coordinate at once.
2) dividing total reaction coordinate into windows.
I am finding out dimerization free energy in bulk solutions, total reaction
coordinate would be from
3 A to 15 A
Is it a good idea to run at a stretch or divide in windows.
Any suggestion are greatly welcome
Thanks in advance
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