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Modified data_bonds_post() and calling structure

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This commit is contained in:
Oliver Henrich
2021-07-15 13:36:40 +01:00
parent 39bd342913
commit 0f0059269d
23 changed files with 18 additions and 64 deletions
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1
examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.1
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@ -32,7 +32,6 @@ Reading data file ...
2 = max bonds/atom
10 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
8 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.27May21.duplex1.g++.4
View File

@ -32,7 +32,6 @@ Reading data file ...
2 = max bonds/atom
10 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
8 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.1
View File

@ -32,7 +32,6 @@ Reading data file ...
2 = max bonds/atom
16 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
13 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.27May21.duplex2.g++.4
View File

@ -32,7 +32,6 @@ Reading data file ...
2 = max bonds/atom
16 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
13 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.1
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
10 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
8 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.27May21.duplex1.g++.4
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
10 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
8 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.1
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
16 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
13 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.27May21.duplex2.g++.4
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
16 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
13 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.1
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
10 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
8 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.27May21.duplex3.g++.4
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
10 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
8 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++1
View File

@ -36,7 +36,6 @@ Reading data file ...
2 = max bonds/atom
26 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
24 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.4type.g++4
View File

@ -36,7 +36,6 @@ Reading data file ...
2 = max bonds/atom
26 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
24 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++1
View File

@ -36,7 +36,6 @@ Reading data file ...
2 = max bonds/atom
26 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
24 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.27May21.duplex4.8type.g++4
View File

@ -36,7 +36,6 @@ Reading data file ...
2 = max bonds/atom
26 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
24 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.1
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
16 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
13 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0

1
examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.27May21.duplex2.g++.4
View File

@ -33,7 +33,6 @@ Reading data file ...
2 = max bonds/atom
16 ellipsoids
reading bonds ...
Setting oxDNA 3'->5' bond directionality ...
13 bonds
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0