git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3688 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -25,7 +25,9 @@ fix 2 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
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group peptide type <= 12
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group peptide type <= 12
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dump 1 peptide atom 10 dump.peptide
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dump 1 peptide atom 10 dump.peptide
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dump 2 peptide bond 300 dump.bond
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compute bnd all property/local btype batom1 batom2
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dump 2 peptide local 300 dump.bond index c_bnd[1] c_bnd[2] c_bnd[3]
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run 300
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run 300
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@ -3,6 +3,7 @@
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atom_style granular
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atom_style granular
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boundary p p fm
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boundary p p fm
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newton off
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newton off
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communicate single vel yes
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region reg block -10 10 -10 10 -0.5 16 units box
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region reg block -10 10 -10 10 -0.5 16 units box
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create_box 1 reg
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create_box 1 reg
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@ -4,6 +4,7 @@ dimension 2
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atom_style granular
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atom_style granular
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boundary f fm p
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boundary f fm p
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newton off
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newton off
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communicate single vel yes
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region reg block 0 100 0 50 -0.5 0.5 units box
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region reg block 0 100 0 50 -0.5 0.5 units box
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create_box 1 reg
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create_box 1 reg
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