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Merge branch release-5-1
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
clincs.cpp
diff --git
a/src/gromacs/mdlib/clincs.cpp
b/src/gromacs/mdlib/clincs.cpp
index 25415e1066df5e1856b8c5187c20243fb11a3df6..5a83907139614c665b90c54c27206b6805fb63ba 100644
(file)
--- a/
src/gromacs/mdlib/clincs.cpp
+++ b/
src/gromacs/mdlib/clincs.cpp
@@
-2751,7
+2751,7
@@
gmx_bool constrain_lincs(FILE *fplog, gmx_bool bLog, gmx_bool bEner,
{
dhdlambda += lincsd->task[th].dhdlambda;
}
- if (econqCoord)
+ if (econq
== econq
Coord)
{
/* dhdlambda contains dH/dlambda*dt^2, correct for this */
/* TODO This should probably use invdt, so that sd integrator scaling works properly */