X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Freadrtns_CSA.F;h=aeafdc3832ed422373b9e97a3838f60dfd324725;hb=7a9066ef8247b567cb33f4f6f3483e076614c7c4;hp=58b86cc200e81964edeae8b447addcd2401c7cbd;hpb=e9e7a2a71c54224a033e1fa3f9a60848b688eadb;p=unres.git

diff --git a/source/unres/src-HCD-5D/readrtns_CSA.F b/source/unres/src-HCD-5D/readrtns_CSA.F
index 58b86cc..aeafdc3 100644
--- a/source/unres/src-HCD-5D/readrtns_CSA.F
+++ b/source/unres/src-HCD-5D/readrtns_CSA.F
@@ -196,6 +196,12 @@ c      print *,'AFMlog',AFMlog,selfguide,"KUPA"
       call readi(controlcard,'TUBEMOD',tubelog,0)
 c      write (iout,*) TUBElog,"TUBEMODE"
       call readi(controlcard,'IPRINT',iprint,0)
+c 6/22/2021 AL: alpha_GB: parameter to switch between the GB SC-SC
+c    interaction potential and the all-repulsive potential with singularity
+c    at zero site-site distance
+      call reada(controlcard,'ALPHA_GB',alpha_GB,1.0d-2)
+      alpha_GB1 = 1.0d0+1.0d0/alpha_GB
+      write (iout,*) "alpha_GB",alpha_GB," alpha_GB1",alpha_GB1
 C SHIELD keyword sets if the shielding effect of side-chains is used
 C 0 denots no shielding is used all peptide are equally despite the 
 C solvent accesible area
@@ -3066,7 +3072,8 @@ c    &    sigma_odl_temp(maxres,maxres,max_template)
       character*2 kic2
       character*24 model_ki_dist, model_ki_angle
       character*500 controlcard
-      integer ki,i,ii,j,k,l,ii_in_use(maxdim_cont),i_tmp,idomain_tmp,
+      integer ki,i,ii,j,k,l,ii_in_use(maxchain*maxdim),i_tmp,
+     & idomain_tmp,
      & irec,ik,iistart,nres_temp
       integer ilen
       external ilen