diff --git a/mrdna/model/nonbonded.py b/mrdna/model/nonbonded.py index 35ed22113877774093d143dc748c6a7dc20995b9..7e9c480673f458e073accfcdc3674441eebfd378 100644 --- a/mrdna/model/nonbonded.py +++ b/mrdna/model/nonbonded.py @@ -156,7 +156,7 @@ class HarmonicBond(HarmonicPotential): with np.errstate(divide='ignore',invalid='ignore'): du = 2*0.58622592*np.log(dr+self.r0) * self.temperature/295 du[np.logical_not(np.isfinite(du))] = 0 - u = u-du + u = u+du return u