Reimplement constant acceleration groups

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

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
index 21fe54ad8a10ca0fcfa32d62ebe502c3d7c1b518..184ec9c259840a64e5f31ad2d94b887a05b42eb3 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
@@ -255,12 +255,17 @@ sc-power                 = 1
 sc-r-power               = 6
 sc-sigma                 = 0.3
 sc-coul                  = no
+sc-gapsys-scale-linpoint-lj = 0.85
+sc-gapsys-scale-linpoint-q = 0.3
+sc-gapsys-sigma-lj       = 0.3
 separate-dhdl-file       = yes
 dhdl-derivatives         = yes
 dh_hist_size             = 0
 dh_hist_spacing          = 0.1
 
 ; Non-equilibrium MD stuff
+acc-grps                 = 
+accelerate               = 
 freezegrps               = 
 freezedim                = 
 cos-acceleration         = 0