Commit c1dc7ba9 authored by peastman's avatar peastman Committed by GitHub
Browse files

Merge pull request #1721 from davidlmobley/master

Fix handling of scientific notation for field 7 in torsions in certain GROMACS topologies
parents 9500f3af 89a564ff
......@@ -772,7 +772,7 @@ class GromacsTopFile(object):
if periodic is None:
periodic = mm.PeriodicTorsionForce()
sys.addForce(periodic)
periodic.addTorsion(baseAtomIndex+atoms[0], baseAtomIndex+atoms[1], baseAtomIndex+atoms[2], baseAtomIndex+atoms[3], int(params[7]), float(params[5])*degToRad, k)
periodic.addTorsion(baseAtomIndex+atoms[0], baseAtomIndex+atoms[1], baseAtomIndex+atoms[2], baseAtomIndex+atoms[3], int(float(params[7])), float(params[5])*degToRad, k)
elif dihedralType == '2':
# Harmonic torsion
k = float(params[6])
......
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