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bug fix after Ana and cluster lipid (still in progress)
[unres.git]
/
source
/
wham
/
src-M
/
energy_p_new.F
diff --git
a/source/wham/src-M/energy_p_new.F
b/source/wham/src-M/energy_p_new.F
index
730500e
..
fb18913
100644
(file)
--- a/
source/wham/src-M/energy_p_new.F
+++ b/
source/wham/src-M/energy_p_new.F
@@
-224,11
+224,11
@@
c detecting NaNQ
#ifdef MPL
c endif
#endif
-C#define DEBUG
+#define DEBUG
#ifdef DEBUG
call enerprint(energia,fact)
#endif
-C#undef DEBUG
+#undef DEBUG
if (calc_grad) then
C
C Sum up the components of the Cartesian gradient.