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rm JESTEM printout
author
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Thu, 19 Mar 2020 14:25:40 +0000
(15:25 +0100)
committer
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Thu, 19 Mar 2020 14:25:40 +0000
(15:25 +0100)
source/cluster/wham/src-M-SAXS-homology/parmread.F
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source/unres/src_MD-M-SAXS-homology/parmread.F
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diff --git
a/source/cluster/wham/src-M-SAXS-homology/parmread.F
b/source/cluster/wham/src-M-SAXS-homology/parmread.F
index
8895504
..
c557764
100644
(file)
--- a/
source/cluster/wham/src-M-SAXS-homology/parmread.F
+++ b/
source/cluster/wham/src-M-SAXS-homology/parmread.F
@@
-846,8
+846,8
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
- write(iout,*) "TU DOCHODZE"
- print *,"JESTEM"
+c write(iout,*) "TU DOCHODZE"
+c print *,"JESTEM"
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
diff --git
a/source/unres/src_MD-M-SAXS-homology/parmread.F
b/source/unres/src_MD-M-SAXS-homology/parmread.F
index
70d6336
..
aad982a
100644
(file)
--- a/
source/unres/src_MD-M-SAXS-homology/parmread.F
+++ b/
source/unres/src_MD-M-SAXS-homology/parmread.F
@@
-981,8
+981,8
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
- write(iout,*) "TU DOCHODZE"
- print *,"JESTEM"
+c write(iout,*) "TU DOCHODZE"
+c print *,"JESTEM"
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
diff --git
a/source/wham/src-M-SAXS-homology/parmread.F
b/source/wham/src-M-SAXS-homology/parmread.F
index
ecf40a7
..
89004f4
100644
(file)
--- a/
source/wham/src-M-SAXS-homology/parmread.F
+++ b/
source/wham/src-M-SAXS-homology/parmread.F
@@
-1064,8
+1064,8
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
- write(iout,*) "TU DOCHODZE"
- print *,"JESTEM"
+c write(iout,*) "TU DOCHODZE"
+c print *,"JESTEM"
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0