[gmx-users] calculation of persistence length
soumadwipghosh at gmail.com
Sat Sep 12 08:33:23 CEST 2015
I want to calculate the persistence length of a single stranded
DNA in the presence of various salts. I want to plot a lnP(theta) vs
1-cos(theta) graph, where theta is the bend angle of the DNA and P(theta)
is the angular probability. From GROMACS what I obtained was as follows-
# This file was created Thu Sep 3 07:02:19 2015
# by the following command:
# g_polystat -f mdfinal_60ns.xtc -s mdfinal_60ns.tpr -p persist_18mm.xvg
# g_polystat is part of G R O M A C S:
# GRoups of Organic Molecules in ACtion for Science
@ title "Persistence length"
@ xaxis label "Time (ps)"
@ yaxis label "bonds"
Here, the time evolution of some bonds are given. Can anyone help resolving
Thanks in advance,
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