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multiscale
lammps
Commits
b9d844ca
Commit
b9d844ca
authored
7 years ago
by
sjplimp
Committed by
GitHub
7 years ago
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Merge pull request #444 from ohenrich/user-cgdna
Minor updates to docu of USER-CGDNA package
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doc/src/Section_packages.txt
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-2
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doc/src/Section_packages.txt
doc/src/bond_oxdna.txt
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doc/src/bond_oxdna.txt
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doc/src/Section_packages.txt
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b9d844ca
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@@ -1308,8 +1308,8 @@ oxdna/..."_pair_oxdna.html, "pair_style
oxdna2/..."_pair_oxdna2.html, "fix
nve/dotc/langevin"_fix_nve_dotc_langevin.html
Author: Oliver Henrich at the University of Strathclyde, Glasgow
, UK and
Un
iver
sity of Edinburgh (
ohenrich
@
ph.ed.ac.uk).
Author: Oliver Henrich at the University of Strathclyde, Glasgow
(ol
iver
.henrich at strath.ac.uk, also
ohenrich
at
ph.ed.ac.uk).
Contact him directly if you have any questions.
:line
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doc/src/bond_oxdna.txt
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@@ -46,9 +46,7 @@ for excluded volume interaction {oxdna/excv}, stacking {oxdna/stk}, cross-stacki
and coaxial stacking interaction {oxdna/coaxstk} as well as hydrogen-bonding interaction {oxdna/hbond} (see also documentation of
"pair_style oxdna/excv"_pair_oxdna.html). For the oxDNA2 "(Snodin)"_#oxdna2 bond style the analogous pair styles and an additional Debye-Hueckel pair
style {oxdna2/dh} have to be defined.
The coefficients
in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.
The coefficients in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.
Example input and data files for DNA duplexes can be found in examples/USER/cgdna/examples/oxDNA/ and /oxDNA2/.
A simple python setup tool which creates single straight or helical DNA strands,
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