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Merge pull request #640 from ohenrich/user-cgdna
4161868bcf69
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Authored by Steve Plimpton <sjplimp@sandia.gov> on Sep 6 2017, 16:52.

Description

Merge pull request #640 from ohenrich/user-cgdna

USER-CGDNA - sequence-dependent stacking and h-bonding strength

Details

Committed
GitHub <noreply@github.com>Sep 6 2017, 16:52
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPSc8967a335f26: Included hyperlink to package
rLAMMPS9ca39c89a6a3: Merge pull request #639 from rbberger/python_interface_improvements
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GitHub <noreply@github.com> committed rLAMMPS4161868bcf69: Merge pull request #640 from ohenrich/user-cgdna (authored by Steve Plimpton <sjplimp@sandia.gov>).Sep 6 2017, 16:52

Merged Changes

CommitAuthorDetailsCommitted
c8967a335f26Oliver Henrich
Included hyperlink to package 
Sep 5 2017
2105145f55e6Oliver Henrich
More minor changes 
Sep 5 2017
f7715ab6ce3cOliver Henrich
Added comment about optimised damping coefficient for BD 
Sep 5 2017
12fe614ddf58Oliver Henrich
Added sequence-dependent stacking and base-pairing strength 
Sep 5 2017

Changes (21)

Path
Mdoc/src/PDF/USER-CGDNA-overview.pdf
Mdoc/src/fix_nve_dot.txt
Mdoc/src/fix_nve_dotc_langevin.txt
Mdoc/src/pair_oxdna.txt
Mdoc/src/pair_oxdna2.txt
Mexamples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1
Mexamples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1
Mexamples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4
Mexamples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2
Mexamples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1
Mexamples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4
Mexamples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1
Mexamples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1
Mexamples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4
Mexamples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2
Mexamples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1
Mexamples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4
Msrc/USER-CGDNA/pair_oxdna_hbond.cpp
Msrc/USER-CGDNA/pair_oxdna_hbond.h
Msrc/USER-CGDNA/pair_oxdna_stk.cpp
Msrc/USER-CGDNA/pair_oxdna_stk.h

rLAMMPS4161868bcf69

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doc/src/PDF/USER-CGDNA-overview.pdf

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doc/src/fix_nve_dot.txt

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doc/src/fix_nve_dotc_langevin.txt

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doc/src/pair_oxdna.txt

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doc/src/pair_oxdna2.txt

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examples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1

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examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1

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examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4

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examples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2

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examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1

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examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4

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examples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1

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examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1

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examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4

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examples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2

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examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1

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examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4

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src/USER-CGDNA/pair_oxdna_hbond.cpp

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src/USER-CGDNA/pair_oxdna_hbond.h

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src/USER-CGDNA/pair_oxdna_stk.cpp

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src/USER-CGDNA/pair_oxdna_stk.h

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