[gmx-users] regarding the use of g_hbond

soumadwip ghosh soumadwipghosh at gmail.com
Fri Dec 18 11:42:39 CET 2015


Hi all,
        I am trying to plot the no.of hydrogen bonds between two parallel
chains of a double stranded DNA as a function of time. What I am observing
is a decrease (which is expected) for two types of nucleic acids but the
problem is the difference between three or more data are difficult to
visualize due to large data points. I want the plot to look something like
FIG 6 of the following reference below

http://scitation.aip.org/docserver/fulltext/aip/journal/jcp/136/6/1.3682780.pdf?expires=1450435942&id=id&accname=2102180&checksum=AC45165AFD6BC0C361795C50AED25E13

where the difference is clearly observed. However what I am getting from
GROMACS 5.0.5 and Origin software is something as follows

https://drive.google.com/file/d/0B7SBnQ5YXQSLYUxiSk9aRVIwbzg/view?usp=sharing

Is there any workaround to achieve what I am looking for?

Many thanks is advance.

Soumadwip Ghosh
Research Fellow
IITB
Mumbai
India


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