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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12800 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-11-26 16:05:29 +00:00
parent 1bfeda4e3e
commit 6d4200ec45
1 changed files with 1 additions and 1 deletions
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examples/USER/pimd/prot-hairpin/in.scp
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@ -17,7 +17,7 @@ read_data system.data
#read_restart restart/system_${ibead}.rest1
special_bonds charmm
fix 1 all quantum method nmpimd fmass 1.0 temp 300.0 nhc 4 sp 2.0
fix 1 all pimd method nmpimd fmass 1.0 temp 300.0 nhc 4 sp 2.0
thermo 10
thermo_style custom step temp pe etotal