X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=265b705389cf645f5f131c4c128559bfb539ea84;hb=7675ab8ec26554f2fd3f2e7e427b177254872a45;hp=70bacea0db29a874ffd0c589418b0d3e135493ff;hpb=3dbe5ceeea4b858bc25fa1469237e697c0bf293f;p=unres.git

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index 70bacea..265b705 100644
--- a/source/unres/src_MD-M/readrtns_CSA.F
+++ b/source/unres/src_MD-M/readrtns_CSA.F
@@ -638,7 +638,7 @@ C 12/1/95 Added weight for the multi-body term WCORR
      &  'General scaling factor of SC-p interactions:',scalscp
       endif
       r0_corr=cutoff_corr-delt_corr
-      do i=1,20
+      do i=1,ntyp
         aad(i,1)=scalscp*aad(i,1)
         aad(i,2)=scalscp*aad(i,2)
         bad(i,1)=scalscp*bad(i,1)
@@ -1916,12 +1916,22 @@ C Get parameter filenames and open the parameter files.
       open (itordp,file=tordname,status='old',readonly)
       call getenv_loc('SCCORPAR',sccorname)
       open (isccor,file=sccorname,status='old',readonly)
+#ifndef CRYST_THETA
+      call getenv_loc('THETPARPDB',thetname_pdb)
+      print *,"thetname_pdb ",thetname_pdb
+      open (ithep_pdb,file=thetname_pdb,status='old',action='read')
+      print *,ithep_pdb," opened"
+#endif
       call getenv_loc('FOURIER',fouriername)
       open (ifourier,file=fouriername,status='old',readonly)
       call getenv_loc('ELEPAR',elename)
       open (ielep,file=elename,status='old',readonly)
       call getenv_loc('SIDEPAR',sidename)
       open (isidep,file=sidename,status='old',readonly)
+#ifndef CRYST_SC
+      call getenv_loc('ROTPARPDB',rotname_pdb)
+      open (irotam_pdb,file=rotname_pdb,status='old',action='read')
+#endif
 #endif
 #ifndef OLDSCP
 C
@@ -2083,6 +2093,8 @@ C Write file names
      &  thetname(:ilen(thetname))
       write (iout,*) "Rotamer parameter file          : ",
      &  rotname(:ilen(rotname))
+      write (iout,*) "Thetpdb parameter file          : ",
+     &  thetname_pdb(:ilen(thetname_pdb))
       write (iout,*) "Threading database              : ",
      &  patname(:ilen(patname))
       if (lentmp.ne.0)