shahid nayeem wrote:
My system is a protein-protein complex. After pulling I selected
windows at 0.1nm from an initial COM distance of 3.65nm to 5.7nm and
thereafter windows at 0.2nm spacing was selected upto 7.5nm. In each
window 10ns MD was done and g_wham command was run neglecting the fist
1ns run for equilibriation.
OK, so how did you decide that 10 ns was sufficient in each window?
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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