ICODE-ADC/lammps
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link to data.peptide was deleted by me by mistake. Now that it's re-added, I revoked (un-necessary) changes I made since to the in.peptide input script

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tanmoy.7989
2019-09-06 11:18:33 -07:00
parent 82423ff4e0
commit bbb0f5740e
1 changed files with 1 additions and 1 deletions
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tools/replica/example/in.peptide
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@ -14,7 +14,7 @@ dihedral_style charmm
improper_style harmonic
kspace_style pppm 0.0001
read_data ../../../examples/peptide/data.peptide
read_data data.peptide
neighbor 2.0 bin
neigh_modify delay 5