Introduce explicit parameters for gapsys-sc.

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / tests / refdata / GetIrTest_AcceptsEmptyLines.xml

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
index 343af36cad09a179b24be8b4f2e3de5bc3db22bc..5ca2760ed362ad5cd16ca2434ee2bd4e2f39d9c0 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
@@ -255,6 +255,9 @@ sc-power                 = 1
 sc-r-power               = 6
 sc-sigma                 = 0.3
 sc-coul                  = no
+sc-scale-linpoint-LJ-gapsys = 0.85
+sc-scale-linpoint-Q-gapsys = 0.3
+sc-sigma-LJ-gapsys       = 0.3
 separate-dhdl-file       = yes
 dhdl-derivatives         = yes
 dh_hist_size             = 0