Add gapsys softcore function.

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

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
index 136d8617e7d3b08ba68853a762acabcc27f23a1f..a7aa6c008c774a4a0629e0c6c6f68f463389bdf1 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
@@ -254,6 +254,7 @@ sc-power                 = 1
 sc-r-power               = 6
 sc-sigma                 = 0.3
 sc-coul                  = no
+sc-function              = beutler
 separate-dhdl-file       = yes
 dhdl-derivatives         = yes
 dh_hist_size             = 0