From: Akshay Bhatnagar (akshaybhatnagar2790_at_gmail.com)
Date: Thu Jul 24 2014 - 02:04:25 CDT
Hello everyone
I have performed an equilibration of cystine amino acid for 10ns with
varying oscillation and damping constants, surprisingly i found that
integrity of the system was maintained in following cases only:
1) Oscillation constant=10,000,00 and damping constant=5,000,00
2) Oscillation constant=1000 and damping constant=500
3) Oscillation constant=500 and damping constant=250
4) Oscillation constant=200 and damping constant=100
but in the below mentioned cases the integrity was NOT maintained:
1) Oscillation constant=1,000,00 and damping constant=50,000
2) Oscillation constant=10,000 and damping constant=5,000
3) Oscillation constant=800 and damping constant=400
Can anyone please explain why is there such an irregular trend in the
equilibrations.
Thank you very much
With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus
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