Nilesh Dhumal wrote:
Hello,
I run a 5ns simulation for a single glucose molecule in gas phase.
I tried to plot radial distribution function for O---H intramolecular
interactions using following command.
g_rdf -f 6.trr -s 6.tpr -n index -o
In rdf.xvg file there is no data.
Can you tell what could be the reason.
Probably due to exclusions in the topology, as g_rdf -h indicates. There are
several possible workarounds discussed in the same paragraph.
-Justin
I am using Gromacs 4.0.7 version.
Thanks
Nilesh
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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