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adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
[unres.git]
/
source
/
unres
/
src_MD-M
/
readpdb.F
diff --git
a/source/unres/src_MD-M/readpdb.F
b/source/unres/src_MD-M/readpdb.F
index
8b6f331
..
da934d5
100644
(file)
--- a/
source/unres/src_MD-M/readpdb.F
+++ b/
source/unres/src_MD-M/readpdb.F
@@
-74,7
+74,7
@@
C Calculate the CM of the preceding residue.
endif
C Start new residue.
c write (iout,'(a80)') card
endif
C Start new residue.
c write (iout,'(a80)') card
- read (card(24:26),*) ires
+ read (card(23:26),*) ires
read (card(18:20),'(a3)') res
if (ibeg.eq.1) then
ishift=ires-1
read (card(18:20),'(a3)') res
if (ibeg.eq.1) then
ishift=ires-1
@@
-169,7
+169,7
@@
C 2/15/2013 by Adam: corrected insertion of the last dummy residue
c(j,nres+1)=c(j,1)
c(j,2*nres)=c(j,nres)
enddo
c(j,nres+1)=c(j,1)
c(j,2*nres)=c(j,nres)
enddo
- if (itype(1).eq.21) then
+ if (itype(1).eq.21) then
nsup=nsup-1
nstart_sup=2
if (unres_pdb) then
nsup=nsup-1
nstart_sup=2
if (unres_pdb) then