Remove cutoff-scheme group from default mdout.mdp output

The .mdp default output file had a reference to the group scheme in it,
which might prove confusing to users that assume that this is still
available.

Change-Id: I434f15e46dfc0a8ebffe8d826855dc8e67168fba

diff --git a/src/gromacs/gmxpreprocess/readir.cpp b/src/gromacs/gmxpreprocess/readir.cpp
index 42b1f04e966548d399eb7e5c7d5f5408b00798ea..d6dbbe240cc215fe0462b9a06553d53c807ee83d 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.cpp
+++ b/src/gromacs/gmxpreprocess/readir.cpp
@@ -1958,8 +1958,7 @@ void get_ir(const char*     mdparin,
 
     /* Neighbor searching */
     printStringNewline(&inp, "NEIGHBORSEARCHING PARAMETERS");
-    printStringNoNewline(
-            &inp, "cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)");
+    printStringNoNewline(&inp, "cut-off scheme (Verlet: particle based cut-offs)");
     ir->cutoff_scheme = get_eeenum(&inp, "cutoff-scheme", ecutscheme_names, wi);
     printStringNoNewline(&inp, "nblist update frequency");
     ir->nstlist = get_eint(&inp, "nstlist", 10, wi);

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml
index e608872e36082949291069dda3ed118cec1a7889..f71418a53a8a1b43c5954ff22123b14eb0abb270 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
index 37314f84e03fb737497b818e0c2a51b893e901b8..ae3fb3f47c0a1b438fdf869fafa51dfe7fc76696 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
index b5ccd4acb91d7981321d2b1100e5320c1b33dab8..1315d0e103240b0f0a817b4a2872a9e59bef032c 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
index 888e418e9577602e2d1872be42daf506dbf248a2..93e200d5cd81a78ed8eb7dfa36956324f4bd71df 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
index df57eff5970796b8fb4d0b4a2847d922b634c9fa..f403b671d2b20b6f339ee8ebbcf670a6a3fe6f59 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
index df57eff5970796b8fb4d0b4a2847d922b634c9fa..f403b671d2b20b6f339ee8ebbcf670a6a3fe6f59 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
index df57eff5970796b8fb4d0b4a2847d922b634c9fa..f403b671d2b20b6f339ee8ebbcf670a6a3fe6f59 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsMimic.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsMimic.xml
index 8049ef3a2e29f1de14e8fda93278aaa40c7a099d..96add6c35ddab08a49d11ede2d58e5b104fd2762 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsMimic.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsMimic.xml
@@ -67,7 +67,7 @@ compressed-x-grps        =
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
index bb7919de70dadb87084d1ddbd50dbd9daf2804ec..a78794df85ed984f4d178fd4332fe5c7dc9aec5f 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
@@ -67,7 +67,7 @@ compressed-x-grps        = System
 energygrps               = 
 
 ; NEIGHBORSEARCHING PARAMETERS
-; cut-off scheme (Verlet: particle based cut-offs, group: using charge groups)
+; cut-off scheme (Verlet: particle based cut-offs)
 cutoff-scheme            = Verlet
 ; nblist update frequency
 nstlist                  = 10