From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Mon, 20 Jul 2020 23:56:18 +0000 (+0200)
Subject: test homo small memory single sco
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=1dfacbdf699b16f798e16a8614c24c79d164f502

test homo small memory single sco
---

diff --git a/source/unres/src-HCD-5D/DIMENSIONS b/source/unres/src-HCD-5D/DIMENSIONS
index 0e0fef1..d487351 100644
--- a/source/unres/src-HCD-5D/DIMENSIONS
+++ b/source/unres/src-HCD-5D/DIMENSIONS
@@ -60,7 +60,7 @@ C     include in template-based/contact distance restraints.
       parameter (maxcont_res=200)
 C Max. number of distance/contact-distance restraints
       integer maxdim_cont
-      parameter (maxdim_cont=maxres*6000)
+      parameter (maxdim_cont=maxres*1000)
 C Number of AA types (at present only natural AA's will be handled
       integer ntyp,ntyp1
       parameter (ntyp=24,ntyp1=ntyp+1)
diff --git a/source/unres/src-HCD-5D/readrtns_CSA.F b/source/unres/src-HCD-5D/readrtns_CSA.F
index 4fbc0f1..b24a582 100644
--- a/source/unres/src-HCD-5D/readrtns_CSA.F
+++ b/source/unres/src-HCD-5D/readrtns_CSA.F
@@ -3265,8 +3265,8 @@ c    &                       constr_homology
               endif
               sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii)) 
             else
-              ii=ii+1
-              l_homo(k,ii)=.false.
+ct              ii=ii+1
+ct              l_homo(k,ii)=.false.
             endif
             enddo
           enddo
@@ -3456,7 +3456,7 @@ cd      write(iout,*) "waga_theta",waga_theta,"waga_d",waga_d
       if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0) then
        write (iout,*) "Distance restraints from templates"
        do ii=1,lim_odl
-       write(iout,'(3i5,100(2f8.2,1x,l1,4x))') 
+       write(iout,'(i8,2i5,100(f8.2,e12.4,1x,l1,4x))') 
      &  ii,ires_homo(ii),jres_homo(ii),
      &  (odl(ki,ii),1.0d0/dsqrt(sigma_odl(ki,ii)),l_homo(ki,ii),
      &  ki=1,constr_homology)