X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?p=alexxy%2Fgromacs.git;a=blobdiff_plain;f=src%2Fgromacs%2Ftopology%2Fidef.cpp;fp=src%2Fgromacs%2Ftopology%2Fidef.cpp;h=543a0f41135fc173604f8325950a2025100a5ed0;hp=b54d73c4f5cb11c8ffa1e124e4ca04f30b2fc902;hb=34d6029f0f7e1b521b148eae4164d02e28911db5;hpb=69d9df0fb1f51869e7f266416c1c3dbe637360ac diff --git a/src/gromacs/topology/idef.cpp b/src/gromacs/topology/idef.cpp index b54d73c4f5..543a0f4113 100644 --- a/src/gromacs/topology/idef.cpp +++ b/src/gromacs/topology/idef.cpp @@ -180,11 +180,10 @@ void printInteractionParameters(gmx::TextWriter* writer, t_functype ftype, const iparams.anharm_polarize.khyp); break; case F_THOLE_POL: - writer->writeLineFormatted("a=%15.8e, alpha1=%15.8e, alpha2=%15.8e, rfac=%15.8e", + writer->writeLineFormatted("a=%15.8e, alpha1=%15.8e, alpha2=%15.8e", iparams.thole.a, iparams.thole.alpha1, - iparams.thole.alpha2, - iparams.thole.rfac); + iparams.thole.alpha2); break; case F_WATER_POL: writer->writeLineFormatted(