diff --git a/regtest/basic/rt-molfile-3/test.gro.reference b/regtest/basic/rt-molfile-3/test.gro.reference index bcfcb6a6e3364a6cc1a7c88d65a4a011c9c08194..75753bcea615c915cc738903b56424647bc72227 100644 --- a/regtest/basic/rt-molfile-3/test.gro.reference +++ b/regtest/basic/rt-molfile-3/test.gro.reference @@ -1,4 +1,4 @@ Made with PLUMED t=0.000000 1 - 0 X 1 1.369 3.074 1.368 0.0000 0.0000 0.0000 + 0 X 1 1.369 3.074 1.368 4.1789097 3.9399096 3.4120598 0.0000000 0.0000000 1.3929703 0.0000000 -1.3929700 1.9699602