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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8128 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-05-22 15:12:29 +00:00
parent f210aa2d3d
commit 4dad31bf42
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examples/peptide/in.peptide
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@ -31,7 +31,7 @@ group peptide type <= 12
# axes yes 0.8 0.02 view 60 -30 bond atom 0.5 # axes yes 0.8 0.02 view 60 -30 bond atom 0.5
#dump_modify 1 pad 3 #dump_modify 1 pad 3
compute bnd all property/local btype batom1 batom2 #compute bnd all property/local btype batom1 batom2
#dump 2 peptide local 300 dump.bond index c_bnd[1] c_bnd[2] c_bnd[3] #dump 2 peptide local 300 dump.bond index c_bnd[1] c_bnd[2] c_bnd[3]
run 300 run 300