Dear Amber users,
Currently i am using Amber12. I want to calculate
continuous hydrogen bond correlation function S(t) to
study the breaking dynamics of hydrogen bonds which
describes the probability that an initially hydrogen
bonded pair remains bonded all times up to t.
Continuous hydrogen bond time correlation function S(t),
S(t) = < h(0) H(t) > / < h(0)h(0) >
how can i calculate such function using amber ?
it will be very helpful to me , if i get any example file of such type
calculation.
Thank you in advance.
--
Tousif Hossen
Research Scholar
Department of Chemistry
IIT GUWAHATI
INDIA
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Received on Sat Apr 28 2018 - 04:30:03 PDT
