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wham scratch & unres symm
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
readrtns_CSA.F
diff --git
a/source/unres/src-HCD-5D/readrtns_CSA.F
b/source/unres/src-HCD-5D/readrtns_CSA.F
index
eeaf74c
..
4fbc0f1
100644
(file)
--- a/
source/unres/src-HCD-5D/readrtns_CSA.F
+++ b/
source/unres/src-HCD-5D/readrtns_CSA.F
@@
-741,7
+741,7
@@
C
integer ilen
external ilen
integer iperm,tperm
integer ilen
external ilen
integer iperm,tperm
- integer i,j,ii,k,l,itrial,itmp,i1,i2,it1,it2,nres_temp
+ integer i,j,ii,k,l,itrial,itmp,i1,i2,it1,it2,nres_temp,itemp
double precision sumv
C
C Read PDB structure if applicable
double precision sumv
C
C Read PDB structure if applicable
@@
-1184,8
+1184,7
@@
c write (iout,*) "After read_dist_constr nhpb",nhpb
335 continue
unres_pdb=.false.
nres_temp=nres
335 continue
unres_pdb=.false.
nres_temp=nres
-c call readpdb
- call readpdb_template(nmodel_start+1)
+ call readpdb
close(ipdbin)
if (nres.ge.nres_temp) then
nmodel_start=nmodel_start+1
close(ipdbin)
if (nres.ge.nres_temp) then
nmodel_start=nmodel_start+1
@@
-1196,11
+1195,22
@@
c call readpdb
enddo
enddo
else
enddo
enddo
else
- if (me.eq.king .or. .not. out1file)
+c itemp=nres
+c nres=nres_temp
+c call gen_rand_conf(itemp,*115)
+c nmodel_start=nmodel_start+1
+c do i=1,2*nres
+c do j=1,3
+c chomo(j,i,nmodel_start)=c(j,i)
+c enddo
+c enddo
+c goto 116
+ 115 if (me.eq.king .or. .not. out1file)
& write (iout,'(a,2i5,1x,a)')
& "Different number of residues",nres_temp,nres,
& " model skipped."
endif
& write (iout,'(a,2i5,1x,a)')
& "Different number of residues",nres_temp,nres,
& " model skipped."
endif
+ 116 continue
nres=nres_temp
enddo
332 continue
nres=nres_temp
enddo
332 continue