Implement velocity terms for virtual sites

[alexxy/gromacs.git] / src / gromacs / mdrun / shellfc.cpp

diff --git a/src/gromacs/mdrun/shellfc.cpp b/src/gromacs/mdrun/shellfc.cpp
index 37522931b0c85e45460bfcee2936e11fea1e3bb6..7521606b7be6a446f5bf454ed286d6dacf12dd73 100644 (file)
--- a/src/gromacs/mdrun/shellfc.cpp
+++ b/src/gromacs/mdrun/shellfc.cpp
@@ -1186,7 +1186,7 @@ void relax_shell_flexcon(FILE*                         fplog,
     {
         if (vsite)
         {
-            vsite->construct(pos[Min], inputrec->delta_t, v, box);
+            vsite->construct(pos[Min], v, box, gmx::VSiteOperation::PositionsAndVelocities);
         }
 
         if (nflexcon)