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Fixed the homology gradient in finegrain mode
[unres.git]
/
source
/
unres
/
src_MD
/
econstr_local.F
diff --git
a/source/unres/src_MD/econstr_local.F
b/source/unres/src_MD/econstr_local.F
index
f11acfb
..
88de310
100644
(file)
--- a/
source/unres/src_MD/econstr_local.F
+++ b/
source/unres/src_MD/econstr_local.F
@@
-19,14
+19,6
@@
c MD with umbrella_sampling using Wolyne's distance measure as a constraint
include 'COMMON.NAMES'
include 'COMMON.TIME1'
Uconst_back=0.0d0
include 'COMMON.NAMES'
include 'COMMON.TIME1'
Uconst_back=0.0d0
- do i=1,nres
- dutheta(i)=0.0d0
- dugamma(i)=0.0d0
- do j=1,3
- duscdiff(j,i)=0.0d0
- duscdiffx(j,i)=0.0d0
- enddo
- enddo
do i=1,nfrag_back
ii = ifrag_back(2,i,iset)-ifrag_back(1,i,iset)
c
do i=1,nfrag_back
ii = ifrag_back(2,i,iset)-ifrag_back(1,i,iset)
c