X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?p=alexxy%2Fgromacs.git;a=blobdiff_plain;f=src%2Fgromacs%2Fgmxpreprocess%2Fconvparm.cpp;fp=src%2Fgromacs%2Fgmxpreprocess%2Fconvparm.cpp;h=e8e5fc897f5aa85f7126ffa5261c383158b6327b;hp=37b59f1eb5bce38d43afe26566dab8f77d221dcf;hb=34d6029f0f7e1b521b148eae4164d02e28911db5;hpb=69d9df0fb1f51869e7f266416c1c3dbe637360ac

diff --git a/src/gromacs/gmxpreprocess/convparm.cpp b/src/gromacs/gmxpreprocess/convparm.cpp
index 37b59f1eb5..e8e5fc897f 100644
--- a/src/gromacs/gmxpreprocess/convparm.cpp
+++ b/src/gromacs/gmxpreprocess/convparm.cpp
@@ -258,14 +258,6 @@ static int assign_param(t_functype                ftype,
             newparam->thole.a      = old[0];
             newparam->thole.alpha1 = old[1];
             newparam->thole.alpha2 = old[2];
-            if ((old[1] > 0) && (old[2] > 0))
-            {
-                newparam->thole.rfac = old[0] * gmx::invsixthroot(old[1] * old[2]);
-            }
-            else
-            {
-                newparam->thole.rfac = 1;
-            }
             break;
         case F_BHAM:
             newparam->bham.a = old[0];