Reimplement constant acceleration groups
[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / tests / refdata / GetIrTest_AcceptsImplicitSolventNo.xml
index 33b334afaadae25af5a47095ce4f9aa3a4ac039c..2298676e1656d32c757d780dfeef2d002c0b4317 100644 (file)
@@ -255,15 +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
+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