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Merge branch 'homology' of mmka.chem.univ.gda.pl:unres into homology
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
energy_p_new.F
diff --git
a/source/cluster/wham/src-M/energy_p_new.F
b/source/cluster/wham/src-M/energy_p_new.F
index
d6ea982
..
c7c2c2f
100644
(file)
--- a/
source/cluster/wham/src-M/energy_p_new.F
+++ b/
source/cluster/wham/src-M/energy_p_new.F
@@
-3045,7
+3045,7
@@
c write (iout,*) i,vbld(i),vbldp0,diff,AKP*diff*diff
endif
enddo
endif
enddo
- estr=0.5d0*AKP*estr
+ estr=0.5d0*AKP*estr+estr1
c
c 09/18/07 AL: multimodal bond potential based on AM1 CA-SC PMF's included
c
c
c 09/18/07 AL: multimodal bond potential based on AM1 CA-SC PMF's included
c