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Simplify and fix how lambda values are set
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
readir.cpp
diff --git
a/src/gromacs/gmxpreprocess/readir.cpp
b/src/gromacs/gmxpreprocess/readir.cpp
index db9cba464eaed759a9b128825d70a27c5cab93c5..6aa80244ba21b16b5c8c3ed205b537a1329b07a2 100644
(file)
--- a/
src/gromacs/gmxpreprocess/readir.cpp
+++ b/
src/gromacs/gmxpreprocess/readir.cpp
@@
-2487,7
+2487,7
@@
void get_ir(const char* mdparin,
/* FREE ENERGY AND EXPANDED ENSEMBLE OPTIONS */
if (ir->efep != efepNO)
{
- if (fep->delta_lambda
>
0)
+ if (fep->delta_lambda
!=
0)
{
ir->efep = efepSLOWGROWTH;
}