From: Akshay Bhatnagar (akshaybhatnagar2790_at_gmail.com)
Date: Mon Jun 09 2014 - 20:46:56 CDT
I have performed a 10 ns equilibration to simulate a amino acid in a 30 A
water box, but after the equilibration the amino acid has moved to the
corner of the box. can anyone explain me the reason?
Also can anyone tell me the exact difference between equilibration and
production run? If I use pressure control parameter in equilibration then
is it equivalent to production run?
Thank you very much
BITS Pilani Hyderabad Campus
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