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working gradient for shielding - even the fine grain mode
[unres.git]
/
source
/
xdrfpdb
/
src-M
/
rescode.f
diff --git
a/source/xdrfpdb/src-M/rescode.f
b/source/xdrfpdb/src-M/rescode.f
index
1fff9ec
..
efa6c5c
100644
(file)
--- a/
source/xdrfpdb/src-M/rescode.f
+++ b/
source/xdrfpdb/src-M/rescode.f
@@
-7,7
+7,7
@@
if (ione.eq.0) then
if (ione.eq.0) then
- do i=1,ntyp1
+ do i=-ntyp1,ntyp1
if (ucase(nam).eq.restyp(i)) then
rescode=i
return
if (ucase(nam).eq.restyp(i)) then
rescode=i
return
@@
-15,7
+15,7
@@
enddo
else
enddo
else
- do i=1,ntyp1
+ do i=-ntyp1,ntyp1
if (nam(1:1).eq.onelet(i)) then
rescode=i
return
if (nam(1:1).eq.onelet(i)) then
rescode=i
return