source/cluster/wham/src-M/readrtns.F

   1       subroutine read_control
   2 C
   3 C Read molecular data
   4 C
   5       implicit none
   6       include 'DIMENSIONS'
   7       include 'sizesclu.dat'
   8       include 'COMMON.IOUNITS'
   9       include 'COMMON.TIME1'
  10       include 'COMMON.SBRIDGE'
  11       include 'COMMON.CONTROL'
  12       include 'COMMON.CLUSTER'
  13       include 'COMMON.CHAIN'
  14       include 'COMMON.HEADER'
  15       include 'COMMON.FFIELD'
  16       include 'COMMON.FREE'
  17       include 'COMMON.INTERACT'
  18       character*320 controlcard,ucase
  19 #ifdef MPL
  20       include 'COMMON.INFO'
  21 #endif
  22       integer i
  23
  24       read (INP,'(a80)') titel
  25       call card_concat(controlcard)
  26
  27       call readi(controlcard,'NRES',nres,0)
  28       call readi(controlcard,'RESCALE',rescale_mode,2)
  29       call reada(controlcard,'DISTCHAINMAX',distchainmax,50.0d0)
  30       write (iout,*) "DISTCHAINMAX",distchainmax
  31       call readi(controlcard,'PDBOUT',outpdb,0)
  32       call readi(controlcard,'MOL2OUT',outmol2,0)
  33       refstr=(index(controlcard,'REFSTR').gt.0)
  34       write (iout,*) "REFSTR",refstr
  35       pdbref=(index(controlcard,'PDBREF').gt.0)
  36       iscode=index(controlcard,'ONE_LETTER')
  37       tree=(index(controlcard,'MAKE_TREE').gt.0)
  38       min_var=(index(controlcard,'MINVAR').gt.0)
  39       plot_tree=(index(controlcard,'PLOT_TREE').gt.0)
  40       punch_dist=(index(controlcard,'PUNCH_DIST').gt.0)
  41       call readi(controlcard,'NCUT',ncut,0)
  42       call readi(controlcard,'NCLUST',nclust,5)
  43       call readi(controlcard,'SYM',symetr,1)
  44       write (iout,*) 'sym', symetr
  45       call readi(controlcard,'NSTART',nstart,0)
  46       call readi(controlcard,'NEND',nend,0)
  47       call reada(controlcard,'ECUT',ecut,10.0d0)
  48       call reada(controlcard,'PROB',prob_limit,0.99d0)
  49       write (iout,*) "Probability limit",prob_limit
  50       lgrp=(index(controlcard,'LGRP').gt.0)
  51       caonly=(index(controlcard,'CA_ONLY').gt.0)
  52       print_dist=(index(controlcard,'PRINT_DIST').gt.0)
  53       if (ncut.gt.0)
  54      & call multreada(controlcard,'CUTOFF',rcutoff,ncut,-1.0d0)
  55       call readi(controlcard,'IOPT',iopt,2)
  56       lside = index(controlcard,"SIDE").gt.0
  57       efree = index(controlcard,"EFREE").gt.0
  58       call readi(controlcard,'NTEMP',nT,1)
  59       write (iout,*) "nT",nT
  60       call multreada(controlcard,'TEMPER',beta_h,nT,300.0d0)
  61       write (iout,*) "nT",nT
  62       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  63       do i=1,nT
  64         beta_h(i)=1.0d0/(1.987D-3*beta_h(i))
  65       enddo
  66       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  67       lprint_cart=index(controlcard,"PRINT_CART") .gt.0
  68       lprint_int=index(controlcard,"PRINT_INT") .gt.0
  69       if (min_var) iopt=1
  70       return
  71       end
  72 c--------------------------------------------------------------------------
  73       subroutine molread
  74 C
  75 C Read molecular data.
  76 C
  77       implicit none
  78       include 'DIMENSIONS'
  79       include 'COMMON.IOUNITS'
  80       include 'COMMON.GEO'
  81       include 'COMMON.VAR'
  82       include 'COMMON.INTERACT'
  83       include 'COMMON.LOCAL'
  84       include 'COMMON.NAMES'
  85       include 'COMMON.CHAIN'
  86       include 'COMMON.FFIELD'
  87       include 'COMMON.SBRIDGE'
  88       include 'COMMON.HEADER'
  89       include 'COMMON.CONTROL'
  90       include 'COMMON.CONTACTS'
  91       include 'COMMON.TIME1'
  92 #ifdef MPL
  93       include 'COMMON.INFO'
  94 #endif
  95       character*4 sequence(maxres)
  96       character*800 weightcard
  97       integer rescode
  98       double precision x(maxvar)
  99       integer itype_pdb(maxres)
 100       logical seq_comp
 101       integer i,j
 102 C
 103 C Body
 104 C
 105 C Read weights of the subsequent energy terms.
 106       call card_concat(weightcard)
 107       call reada(weightcard,'WSC',wsc,1.0d0)
 108       call reada(weightcard,'WLONG',wsc,wsc)
 109       call reada(weightcard,'WSCP',wscp,1.0d0)
 110       call reada(weightcard,'WELEC',welec,1.0D0)
 111       call reada(weightcard,'WVDWPP',wvdwpp,welec)
 112       call reada(weightcard,'WEL_LOC',wel_loc,1.0D0)
 113       call reada(weightcard,'WCORR4',wcorr4,0.0D0)
 114       call reada(weightcard,'WCORR5',wcorr5,0.0D0)
 115       call reada(weightcard,'WCORR6',wcorr6,0.0D0)
 116       call reada(weightcard,'WTURN3',wturn3,1.0D0)
 117       call reada(weightcard,'WTURN4',wturn4,1.0D0)
 118       call reada(weightcard,'WTURN6',wturn6,1.0D0)
 119       call reada(weightcard,'WSTRAIN',wstrain,1.0D0)
 120       call reada(weightcard,'WSCCOR',wsccor,1.0D0)
 121       call reada(weightcard,'WBOND',wbond,1.0D0)
 122       call reada(weightcard,'WTOR',wtor,1.0D0)
 123       call reada(weightcard,'WTORD',wtor_d,1.0D0)
 124       call reada(weightcard,'WANG',wang,1.0D0)
 125       call reada(weightcard,'WSCLOC',wscloc,1.0D0)
 126       call reada(weightcard,'SCAL14',scal14,0.4D0)
 127       call reada(weightcard,'SCALSCP',scalscp,1.0d0)
 128       call reada(weightcard,'CUTOFF',cutoff_corr,7.0d0)
 129       call reada(weightcard,'DELT_CORR',delt_corr,0.5d0)
 130       if (index(weightcard,'SOFT').gt.0) ipot=6
 131 C 12/1/95 Added weight for the multi-body term WCORR
 132       call reada(weightcard,'WCORRH',wcorr,1.0D0)
 133       if (wcorr4.gt.0.0d0) wcorr=wcorr4
 134       weights(1)=wsc
 135       weights(2)=wscp
 136       weights(3)=welec
 137       weights(4)=wcorr
 138       weights(5)=wcorr5
 139       weights(6)=wcorr6
 140       weights(7)=wel_loc
 141       weights(8)=wturn3
 142       weights(9)=wturn4
 143       weights(10)=wturn6
 144       weights(11)=wang
 145       weights(12)=wscloc
 146       weights(13)=wtor
 147       weights(14)=wtor_d
 148       weights(15)=wstrain
 149       weights(16)=wvdwpp
 150       weights(17)=wbond
 151       weights(18)=scal14
 152       weights(19)=wsccor
 153       write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,
 154      &  wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wturn3,
 155      &  wturn4,wturn6,wsccor
 156    10 format (/'Energy-term weights (unscaled):'//
 157      & 'WSCC=   ',f10.6,' (SC-SC)'/
 158      & 'WSCP=   ',f10.6,' (SC-p)'/
 159      & 'WELEC=  ',f10.6,' (p-p electr)'/
 160      & 'WVDWPP= ',f10.6,' (p-p VDW)'/
 161      & 'WBOND=  ',f10.6,' (stretching)'/
 162      & 'WANG=   ',f10.6,' (bending)'/
 163      & 'WSCLOC= ',f10.6,' (SC local)'/
 164      & 'WTOR=   ',f10.6,' (torsional)'/
 165      & 'WTORD=  ',f10.6,' (double torsional)'/
 166      & 'WSTRAIN=',f10.6,' (SS bridges & dist. cnstr.)'/
 167      & 'WEL_LOC=',f10.6,' (multi-body 3-rd order)'/
 168      & 'WCORR4= ',f10.6,' (multi-body 4th order)'/
 169      & 'WCORR5= ',f10.6,' (multi-body 5th order)'/
 170      & 'WCORR6= ',f10.6,' (multi-body 6th order)'/
 171      & 'WTURN3= ',f10.6,' (turns, 3rd order)'/
 172      & 'WTURN4= ',f10.6,' (turns, 4th order)'/
 173      & 'WTURN6= ',f10.6,' (turns, 6th order)'/
 174      & 'WSCCOR= ',f10.6,' (SC-backbone torsinal correalations)')
 175
 176       if (wcorr4.gt.0.0d0) then
 177         write (iout,'(/2a/)') 'Local-electrostatic type correlation ',
 178      &   'between contact pairs of peptide groups'
 179         write (iout,'(2(a,f5.3/))')
 180      &  'Cutoff on 4-6th order correlation terms: ',cutoff_corr,
 181      &  'Range of quenching the correlation terms:',2*delt_corr
 182       else if (wcorr.gt.0.0d0) then
 183         write (iout,'(/2a/)') 'Hydrogen-bonding correlation ',
 184      &   'between contact pairs of peptide groups'
 185       endif
 186       write (iout,'(a,f8.3)')
 187      &  'Scaling factor of 1,4 SC-p interactions:',scal14
 188       write (iout,'(a,f8.3)')
 189      &  'General scaling factor of SC-p interactions:',scalscp
 190       r0_corr=cutoff_corr-delt_corr
 191       do i=1,20
 192         aad(i,1)=scalscp*aad(i,1)
 193         aad(i,2)=scalscp*aad(i,2)
 194         bad(i,1)=scalscp*bad(i,1)
 195         bad(i,2)=scalscp*bad(i,2)
 196       enddo
 197
 198       call flush(iout)
 199       print *,'indpdb=',indpdb,' pdbref=',pdbref
 200
 201 C Read sequence if not taken from the pdb file.
 202       if (iscode.gt.0) then
 203         read (inp,'(80a1)') (sequence(i)(1:1),i=1,nres)
 204       else
 205         read (inp,'(20(1x,a3))') (sequence(i),i=1,nres)
 206       endif
 207 C Convert sequence to numeric code
 208       do i=1,nres
 209         itype(i)=rescode(i,sequence(i),iscode)
 210       enddo
 211       if (itype(2).eq.10) then
 212         write (iout,*)
 213      &   "Glycine is the first full residue, initial dummy deleted"
 214         do i=1,nres
 215           itype(i)=itype(i+1)
 216         enddo
 217         nres=nres-1
 218       endif
 219       if (itype(nres).eq.10) then
 220         write (iout,*)
 221      &   "Glycine is the last full residue, terminal dummy deleted"
 222         nres=nres-1
 223       endif
 224       print *,nres
 225       print '(20i4)',(itype(i),i=1,nres)
 226
 227       do i=1,nres
 228 #ifdef PROCOR
 229         if (itype(i).eq.21 .or. itype(i+1).eq.21) then
 230 #else
 231         if (itype(i).eq.21) then
 232 #endif
 233           itel(i)=0
 234 #ifdef PROCOR
 235         else if (itype(i+1).ne.20) then
 236 #else
 237         else if (itype(i).ne.20) then
 238 #endif
 239           itel(i)=1
 240         else
 241           itel(i)=2
 242         endif
 243       enddo
 244       write (iout,*) "ITEL"
 245       do i=1,nres-1
 246         write (iout,*) i,itype(i),itel(i)
 247       enddo
 248
 249       print *,'Call Read_Bridge.'
 250       call read_bridge
 251       nnt=1
 252       nct=nres
 253       print *,'NNT=',NNT,' NCT=',NCT
 254       if (itype(1).eq.21) nnt=2
 255       if (itype(nres).eq.21) nct=nct-1
 256       if (nstart.lt.nnt) nstart=nnt
 257       if (nend.gt.nct .or. nend.eq.0) nend=nct
 258       write (iout,*) "nstart",nstart," nend",nend
 259       nres0=nres
 260 c      if (pdbref) then
 261 c        read(inp,'(a)') pdbfile
 262 c        write (iout,'(2a)') 'PDB data will be read from file ',pdbfile
 263 c        open(ipdbin,file=pdbfile,status='old',err=33)
 264 c        goto 34
 265 c  33    write (iout,'(a)') 'Error opening PDB file.'
 266 c        stop
 267 c  34    continue
 268 c        print *,'Begin reading pdb data'
 269 c        call readpdb
 270 c        print *,'Finished reading pdb data'
 271 c        write (iout,'(a,i3,a,i3)')'nsup=',nsup,' nstart_sup=',nstart_sup
 272 c        do i=1,nres
 273 c          itype_pdb(i)=itype(i)
 274 c        enddo
 275 c        close (ipdbin)
 276 c        write (iout,'(a,i3)') 'nsup=',nsup
 277 c        nstart_seq=nnt
 278 c        if (nsup.le.(nct-nnt+1)) then
 279 c          do i=0,nct-nnt+1-nsup
 280 c            if (seq_comp(itype(nnt+i),itype_pdb(nstart_sup),nsup)) then
 281 c              nstart_seq=nnt+i
 282 c              goto 111
 283 c            endif
 284 c          enddo
 285 c          write (iout,'(a)')
 286 c     &            'Error - sequences to be superposed do not match.'
 287 c          stop
 288 c        else
 289 c          do i=0,nsup-(nct-nnt+1)
 290 c            if (seq_comp(itype(nnt),itype_pdb(nstart_sup+i),nct-nnt+1))
 291 c     &      then
 292 c              nstart_sup=nstart_sup+i
 293 c              nsup=nct-nnt+1
 294 c              goto 111
 295 c            endif
 296 c          enddo
 297 c          write (iout,'(a)')
 298 c     &            'Error - sequences to be superposed do not match.'
 299 c        endif
 300 c  111   continue
 301 c        write (iout,*) 'nsup=',nsup,' nstart_sup=',nstart_sup,
 302 c     &                 ' nstart_seq=',nstart_seq
 303 c      endif
 304       call init_int_table
 305       call setup_var
 306       write (iout,*) "molread: REFSTR",refstr
 307       if (refstr) then
 308         if (.not.pdbref) then
 309           call read_angles(inp,*38)
 310           goto 39
 311    38     write (iout,'(a)') 'Error reading reference structure.'
 312 #ifdef MPL
 313           call mp_stopall(Error_Msg)
 314 #else
 315           stop 'Error reading reference structure'
 316 #endif
 317    39     call chainbuild
 318           nstart_sup=nnt
 319           nstart_seq=nnt
 320           nsup=nct-nnt+1
 321           do i=1,2*nres
 322             do j=1,3
 323               cref(j,i)=c(j,i)
 324             enddo
 325           enddo
 326         endif
 327         call contact(.true.,ncont_ref,icont_ref)
 328       endif
 329       return
 330       end
 331 c-----------------------------------------------------------------------------
 332       logical function seq_comp(itypea,itypeb,length)
 333       implicit none
 334       integer length,itypea(length),itypeb(length)
 335       integer i
 336       do i=1,length
 337         if (itypea(i).ne.itypeb(i)) then
 338           seq_comp=.false.
 339           return
 340         endif
 341       enddo
 342       seq_comp=.true.
 343       return
 344       end
 345 c-----------------------------------------------------------------------------
 346       subroutine read_bridge
 347 C Read information about disulfide bridges.
 348       implicit none
 349       include 'DIMENSIONS'
 350       include 'COMMON.IOUNITS'
 351       include 'COMMON.GEO'
 352       include 'COMMON.VAR'
 353       include 'COMMON.INTERACT'
 354       include 'COMMON.LOCAL'
 355       include 'COMMON.NAMES'
 356       include 'COMMON.CHAIN'
 357       include 'COMMON.FFIELD'
 358       include 'COMMON.SBRIDGE'
 359       include 'COMMON.HEADER'
 360       include 'COMMON.CONTROL'
 361       include 'COMMON.TIME1'
 362 #ifdef MPL
 363       include 'COMMON.INFO'
 364 #endif
 365       integer i,j
 366 C Read bridging residues.
 367       read (inp,*) ns,(iss(i),i=1,ns)
 368       print *,'ns=',ns
 369 C Check whether the specified bridging residues are cystines.
 370       do i=1,ns
 371         if (itype(iss(i)).ne.1) then
 372           write (iout,'(2a,i3,a)')
 373      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 374      &   ' can form a disulfide bridge?!!!'
 375           write (*,'(2a,i3,a)')
 376      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 377      &   ' can form a disulfide bridge?!!!'
 378 #ifdef MPL
 379          call mp_stopall(error_msg)
 380 #else
 381          stop
 382 #endif
 383         endif
 384       enddo
 385 C Read preformed bridges.
 386       if (ns.gt.0) then
 387       read (inp,*) nss,(ihpb(i),jhpb(i),i=1,nss)
 388       if (nss.gt.0) then
 389         nhpb=nss
 390 C Check if the residues involved in bridges are in the specified list of
 391 C bridging residues.
 392         do i=1,nss
 393           do j=1,i-1
 394             if (ihpb(i).eq.ihpb(j).or.ihpb(i).eq.jhpb(j)
 395      &      .or.jhpb(i).eq.ihpb(j).or.jhpb(i).eq.jhpb(j)) then
 396               write (iout,'(a,i3,a)') 'Disulfide pair',i,
 397      &      ' contains residues present in other pairs.'
 398               write (*,'(a,i3,a)') 'Disulfide pair',i,
 399      &      ' contains residues present in other pairs.'
 400 #ifdef MPL
 401               call mp_stopall(error_msg)
 402 #else
 403               stop
 404 #endif
 405             endif
 406           enddo
 407           do j=1,ns
 408             if (ihpb(i).eq.iss(j)) goto 10
 409           enddo
 410           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 411    10     continue
 412           do j=1,ns
 413             if (jhpb(i).eq.iss(j)) goto 20
 414           enddo
 415           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 416    20     continue
 417           dhpb(i)=dbr
 418           forcon(i)=fbr
 419         enddo
 420         do i=1,nss
 421           ihpb(i)=ihpb(i)+nres
 422           jhpb(i)=jhpb(i)+nres
 423         enddo
 424       endif
 425       endif
 426       return
 427       end
 428 c----------------------------------------------------------------------------
 429       subroutine read_angles(kanal,*)
 430       implicit none
 431       include 'DIMENSIONS'
 432       include 'COMMON.GEO'
 433       include 'COMMON.VAR'
 434       include 'COMMON.CHAIN'
 435       include 'COMMON.IOUNITS'
 436       integer i,kanal
 437       read (kanal,*,err=10,end=10) (theta(i),i=3,nres)
 438       read (kanal,*,err=10,end=10) (phi(i),i=4,nres)
 439       read (kanal,*,err=10,end=10) (alph(i),i=2,nres-1)
 440       read (kanal,*,err=10,end=10) (omeg(i),i=2,nres-1)
 441       do i=1,nres
 442         theta(i)=deg2rad*theta(i)
 443         phi(i)=deg2rad*phi(i)
 444         alph(i)=deg2rad*alph(i)
 445         omeg(i)=deg2rad*omeg(i)
 446       enddo
 447       return
 448    10 return1
 449       end
 450 c----------------------------------------------------------------------------
 451       subroutine reada(rekord,lancuch,wartosc,default)
 452       implicit none
 453       character*(*) rekord,lancuch
 454       double precision wartosc,default
 455       integer ilen,iread
 456       external ilen
 457       iread=index(rekord,lancuch)
 458       if (iread.eq.0) then
 459         wartosc=default
 460         return
 461       endif
 462       iread=iread+ilen(lancuch)+1
 463       read (rekord(iread:),*) wartosc
 464       return
 465       end
 466 c----------------------------------------------------------------------------
 467       subroutine multreada(rekord,lancuch,tablica,dim,default)
 468       implicit none
 469       integer dim,i
 470       double precision tablica(dim),default
 471       character*(*) rekord,lancuch
 472       integer ilen,iread
 473       external ilen
 474       do i=1,dim
 475         tablica(i)=default
 476       enddo
 477       iread=index(rekord,lancuch)
 478       if (iread.eq.0) return
 479       iread=iread+ilen(lancuch)+1
 480       read (rekord(iread:),*,end=10,err=10) (tablica(i),i=1,dim)
 481    10 return
 482       end
 483 c----------------------------------------------------------------------------
 484       subroutine readi(rekord,lancuch,wartosc,default)
 485       implicit none
 486       character*(*) rekord,lancuch
 487       integer wartosc,default
 488       integer ilen,iread
 489       external ilen
 490       iread=index(rekord,lancuch)
 491       if (iread.eq.0) then
 492         wartosc=default
 493         return
 494       endif
 495       iread=iread+ilen(lancuch)+1
 496       read (rekord(iread:),*) wartosc
 497       return
 498       end
 499 c----------------------------------------------------------------------------
 500       subroutine card_concat(card)
 501       include 'DIMENSIONS'
 502       include 'COMMON.IOUNITS'
 503       character*(*) card
 504       character*80 karta,ucase
 505       external ilen
 506       read (inp,'(a)') karta
 507       karta=ucase(karta)
 508       card=' '
 509       do while (karta(80:80).eq.'&')
 510         card=card(:ilen(card)+1)//karta(:79)
 511         read (inp,'(a)') karta
 512         karta=ucase(karta)
 513       enddo
 514       card=card(:ilen(card)+1)//karta
 515       return
 516       end
 517 c----------------------------------------------------------------------------
 518       subroutine openunits
 519       implicit none
 520       include 'DIMENSIONS'
 521 #ifdef MPI
 522       include "mpif.h"
 523       character*3 liczba
 524       include "COMMON.MPI"
 525 #endif
 526       include 'COMMON.IOUNITS'
 527       include 'COMMON.CONTROL'
 528       integer lenpre,lenpot,ilen
 529       external ilen
 530       character*16 cformat,cprint
 531       character*16 ucase
 532       integer lenint,lenout
 533       call getenv('INPUT',prefix)
 534       call getenv('OUTPUT',prefout)
 535       call getenv('INTIN',prefintin)
 536       call getenv('COORD',cformat)
 537       call getenv('PRINTCOOR',cprint)
 538       call getenv('SCRATCHDIR',scratchdir)
 539       from_bx=.true.
 540       from_cx=.false.
 541       if (index(ucase(cformat),'CX').gt.0) then
 542         from_cx=.true.
 543         from_bx=.false.
 544       endif
 545       from_cart=.true.
 546       lenpre=ilen(prefix)
 547       lenout=ilen(prefout)
 548       lenint=ilen(prefintin)
 549 C Get the names and open the input files
 550       open (inp,file=prefix(:ilen(prefix))//'.inp',status='old')
 551 #ifdef MPI
 552       write (liczba,'(bz,i3.3)') me
 553       outname=prefout(:lenout)//'_clust.out_'//liczba
 554 #else
 555       outname=prefout(:lenout)//'_clust.out'
 556 #endif
 557       if (from_bx) then
 558         intinname=prefintin(:lenint)//'.bx'
 559       else if (from_cx) then
 560         intinname=prefintin(:lenint)//'.cx'
 561       else
 562         intinname=prefintin(:lenint)//'.int'
 563       endif
 564       rmsname=prefintin(:lenint)//'.rms'
 565       open (jplot,file=prefout(:ilen(prefout))//'.tex',
 566      &       status='unknown')
 567       open (jrms,file=rmsname,status='unknown')
 568       open(iout,file=outname,status='unknown')
 569 C Get parameter filenames and open the parameter files.
 570       call getenv('BONDPAR',bondname)
 571       open (ibond,file=bondname,status='old')
 572       call getenv('THETPAR',thetname)
 573       open (ithep,file=thetname,status='old')
 574       call getenv('ROTPAR',rotname)
 575       open (irotam,file=rotname,status='old')
 576       call getenv('TORPAR',torname)
 577       open (itorp,file=torname,status='old')
 578       call getenv('TORDPAR',tordname)
 579       open (itordp,file=tordname,status='old')
 580       call getenv('FOURIER',fouriername)
 581       open (ifourier,file=fouriername,status='old')
 582       call getenv('ELEPAR',elename)
 583       open (ielep,file=elename,status='old')
 584       call getenv('SIDEPAR',sidename)
 585       open (isidep,file=sidename,status='old')
 586       call getenv('SIDEP',sidepname)
 587       open (isidep1,file=sidepname,status="old")
 588       call getenv('SCCORPAR',sccorname)
 589       open (isccor,file=sccorname,status="old")
 590 #ifndef OLDSCP
 591 C
 592 C 8/9/01 In the newest version SCp interaction constants are read from a file
 593 C Use -DOLDSCP to use hard-coded constants instead.
 594 C
 595       call getenv('SCPPAR',scpname)
 596       open (iscpp,file=scpname,status='old')
 597 #endif
 598       return
 599       end