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[unres.git]
/
source
/
unres
/
src_MD-M-SAXS-homology
/
brown_step.F
diff --git
a/source/unres/src_MD-M-SAXS-homology/brown_step.F
b/source/unres/src_MD-M-SAXS-homology/brown_step.F
index
49652b8
..
8bab9c0
100644
(file)
--- a/
source/unres/src_MD-M-SAXS-homology/brown_step.F
+++ b/
source/unres/src_MD-M-SAXS-homology/brown_step.F
@@
-378,7
+378,7
@@
c stop
c Calculate energy and forces
call zerograd
call etotal(potEcomp)
- potE=potEcomp(0)-potEcomp(20)
+ potE=potEcomp(0)-potEcomp(27)
call cartgrad
totT=totT+d_time
totTafm=totT