diff --git a/examples/dreiding/data.dreiding b/examples/dreiding/data.dreiding index f6d9bcf22d..d0244ebf8a 100644 --- a/examples/dreiding/data.dreiding +++ b/examples/dreiding/data.dreiding @@ -1395,6 +1395,3 @@ Dihedrals 190 1 384 380 379 381 191 1 384 380 379 382 192 1 384 380 379 383 - -Impropers - diff --git a/examples/micelle/in.micelle b/examples/micelle/in.micelle index 78e5a1b47f..2abdd18734 100644 --- a/examples/micelle/in.micelle +++ b/examples/micelle/in.micelle @@ -57,7 +57,7 @@ pair_coeff 1 4 1.0 1.0 1.12246 pair_coeff 2 3 1.0 0.88 1.12246 pair_coeff 2 4 1.0 0.75 1.12246 -image + thermo 1000 #dump 1 all atom 2000 dump.micelle diff --git a/examples/rigid/in.rigid.tnr b/examples/rigid/in.rigid.tnr index f87991916a..6be5ba529c 100644 --- a/examples/rigid/in.rigid.tnr +++ b/examples/rigid/in.rigid.tnr @@ -37,8 +37,6 @@ thermo_modify flush yes lost warn timestep 0.005 -log log.tnr - fix 1 rods rigid molecule fix 2 tethers nve fix 3 all langevin 1.4 1.4 1.0 437624 @@ -46,12 +44,14 @@ fix 3 all langevin 1.4 1.4 1.0 437624 run 5000 # Replace fix rigid and fix langevin with new ones + unfix 1 unfix 3 fix 3 tethers langevin 1.4 1.4 1.0 198450 # Test different integrators for rods + fix 1 rods rigid/nve molecule print "rigid/nve" run 1000