& '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)
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
& 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)