Remove support for implicit solvation

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

diff --git a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricFieldOscillating.xml b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricFieldOscillating.xml
index 538ebd3da91d9a16151a6fe346b3c3c833810c5a..8b52b14d80417c7e7a905c50367ced90d6d53861 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricFieldOscillating.xml
+++ b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricFieldOscillating.xml
@@ -117,31 +117,7 @@ ewald-rtol-lj            = 0.001
 lj-pme-comb-rule         = Geometric
 ewald-geometry           = 3d
 epsilon-surface          = 0
-
-; IMPLICIT SOLVENT ALGORITHM
-implicit-solvent         = No
-
-; GENERALIZED BORN ELECTROSTATICS
-; Algorithm for calculating Born radii
-gb-algorithm             = Still
-; Frequency of calculating the Born radii inside rlist
-nstgbradii               = 1
-; Cutoff for Born radii calculation; the contribution from atoms
-; between rlist and rgbradii is updated every nstlist steps
-rgbradii                 = 1
-; Dielectric coefficient of the implicit solvent
-gb-epsilon-solvent       = 80
-; Salt concentration in M for Generalized Born models
-gb-saltconc              = 0
-; Scaling factors used in the OBC GB model. Default values are OBC(II)
-gb-obc-alpha             = 1
-gb-obc-beta              = 0.8
-gb-obc-gamma             = 4.85
-gb-dielectric-offset     = 0.009
-sa-algorithm             = Ace-approximation
-; Surface tension (kJ/mol/nm^2) for the SA (nonpolar surface) part of GBSA
-; The value -1 will set default value for Still/HCT/OBC GB-models.
-sa-surface-tension       = -1
+implicit-solvent         = no
 
 ; OPTIONS FOR WEAK COUPLING ALGORITHMS
 ; Temperature coupling