Merge branch 'origin/release-2020' into merge-release-2020-into-master

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.cpp

diff --git a/src/gromacs/gmxpreprocess/readir.cpp b/src/gromacs/gmxpreprocess/readir.cpp
index ad5ee440ff32c9b9884b837cc718702d4d2cf2a6..241ef2d64d7a1274294376bca1508d9736067267 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.cpp
+++ b/src/gromacs/gmxpreprocess/readir.cpp
@@ -3362,11 +3362,12 @@ static void checkAndUpdateVcmFreezeGroupConsistency(SimulationGroups* groups,
             if (numFrozenDims == DIM)
             {
                 /* Do not remove COM motion for this fully frozen atom */
-                if (groups->groups[SimulationAtomGroupType::MassCenterVelocityRemoval].empty())
+                if (groups->groupNumbers[SimulationAtomGroupType::MassCenterVelocityRemoval].empty())
                 {
-                    groups->groups[SimulationAtomGroupType::MassCenterVelocityRemoval].resize(numAtoms, 0);
+                    groups->groupNumbers[SimulationAtomGroupType::MassCenterVelocityRemoval].resize(
+                            numAtoms, 0);
                 }
-                groups->groups[SimulationAtomGroupType::MassCenterVelocityRemoval][a] = vcmRestGroup;
+                groups->groupNumbers[SimulationAtomGroupType::MassCenterVelocityRemoval][a] = vcmRestGroup;
                 numFullyFrozenVcmAtoms++;
             }
             else if (numFrozenDims > 0)