From 15ddbf7e9e95dcafeb51eec0da952ceaa1acbcc1 Mon Sep 17 00:00:00 2001 From: Oliver Henrich Date: Tue, 7 Apr 2020 13:32:05 +0100 Subject: [PATCH] Removed abort condition, enabled capped force --- src/USER-CGDNA/bond_oxdna_fene.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/USER-CGDNA/bond_oxdna_fene.cpp b/src/USER-CGDNA/bond_oxdna_fene.cpp index 834b53a5c7..29a0189014 100644 --- a/src/USER-CGDNA/bond_oxdna_fene.cpp +++ b/src/USER-CGDNA/bond_oxdna_fene.cpp @@ -221,7 +221,7 @@ void BondOxdnaFene::compute(int eflag, int vflag) TAGINT_FORMAT " " TAGINT_FORMAT " %g", update->ntimestep,atom->tag[a],atom->tag[b],r); error->warning(FLERR,str,0); - if (rlogarg <= -8.0) error->one(FLERR,"Bad FENE bond"); + rlogarg = 0.1; } fbond = -k[type]*rr0/rlogarg/Deltasq/r;