Remove unused thole polarization rfac parameter

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / convparm.cpp

diff --git a/src/gromacs/gmxpreprocess/convparm.cpp b/src/gromacs/gmxpreprocess/convparm.cpp
index 37b59f1eb5bce38d43afe26566dab8f77d221dcf..e8e5fc897f5aa85f7126ffa5261c383158b6327b 100644 (file)
--- 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];