From bbb0f5740efd2c4ea6734a29e1fe54271f3d2f92 Mon Sep 17 00:00:00 2001 From: "tanmoy.7989" Date: Fri, 6 Sep 2019 11:18:33 -0700 Subject: [PATCH] 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 --- tools/replica/example/in.peptide | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tools/replica/example/in.peptide b/tools/replica/example/in.peptide index ada6941af1..5d321e34c3 100644 --- a/tools/replica/example/in.peptide +++ b/tools/replica/example/in.peptide @@ -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