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side by side
read2sigma in wham and cluster_wham
[unres.git]
/
source
/
unres
/
src_MD-M
/
brown_step.F
diff --git
a/source/unres/src_MD-M/brown_step.F
b/source/unres/src_MD-M/brown_step.F
index
0be97f5
..
49652b8
100644
(file)
--- a/
source/unres/src_MD-M/brown_step.F
+++ b/
source/unres/src_MD-M/brown_step.F
@@
-381,6
+381,7
@@
c Calculate energy and forces
potE=potEcomp(0)-potEcomp(20)
call cartgrad
totT=totT+d_time
+ totTafm=totT
c Calculate the kinetic and total energy and the kinetic temperature
call kinetic(EK)
#ifdef MPI