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lines changed Original file line number Diff line number Diff line change @@ -701,16 +701,7 @@ molecules = [
701701# Parameters for each stage are defined below, prefer full paths
702702# ====================================================================
703703[ topoaa]
704- autohis = false
705- [ topoaa.mol1]
706- nhisd = 0
707- nhise = 1
708- hise_1 = 75
709- [ topoaa.mol2]
710- nhisd = 1
711- hisd_1 = 76
712- nhise = 1
713- hise_1 = 15
704+ autohis = true
714705
715706[ rigidbody]
716707tolerance = 5
@@ -787,16 +778,7 @@ molecules = [
787778# ====================================================================
788779
789780[ topoaa]
790- autohis = false
791- [ topoaa.mol1]
792- nhisd = 0
793- nhise = 1
794- hise_1 = 75
795- [ topoaa.mol2]
796- nhisd = 1
797- hisd_1 = 76
798- nhise = 1
799- hise_1 = 15
781+ autohis = true
800782
801783[ rigidbody]
802784tolerance = 5
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