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 C Reading the dimensions of box in x,y,z coordinates
  32       call reada(controlcard,'BOXX',boxxsize,100.0d0)
  33       call reada(controlcard,'BOXY',boxysize,100.0d0)
  34       call reada(controlcard,'BOXZ',boxzsize,100.0d0)
  35 c Cutoff range for interactions
  36       call reada(controlcard,"R_CUT",r_cut,15.0d0)
  37       call reada(controlcard,"LAMBDA",rlamb,0.3d0)
  38       call readi(controlcard,'PDBOUT',outpdb,0)
  39       call readi(controlcard,'MOL2OUT',outmol2,0)
  40       refstr=(index(controlcard,'REFSTR').gt.0)
  41       write (iout,*) "REFSTR",refstr
  42       pdbref=(index(controlcard,'PDBREF').gt.0)
  43       iscode=index(controlcard,'ONE_LETTER')
  44       tree=(index(controlcard,'MAKE_TREE').gt.0)
  45       min_var=(index(controlcard,'MINVAR').gt.0)
  46       plot_tree=(index(controlcard,'PLOT_TREE').gt.0)
  47       punch_dist=(index(controlcard,'PUNCH_DIST').gt.0)
  48       call readi(controlcard,'NCUT',ncut,1)
  49       call readi(controlcard,'SYM',symetr,1)
  50       write (iout,*) 'sym', symetr
  51       call readi(controlcard,'NSTART',nstart,0)
  52       call readi(controlcard,'NEND',nend,0)
  53       call reada(controlcard,'ECUT',ecut,10.0d0)
  54       call reada(controlcard,'PROB',prob_limit,0.99d0)
  55       write (iout,*) "Probability limit",prob_limit
  56       lgrp=(index(controlcard,'LGRP').gt.0)
  57       caonly=(index(controlcard,'CA_ONLY').gt.0)
  58       print_dist=(index(controlcard,'PRINT_DIST').gt.0)
  59       call multreada(controlcard,'CUTOFF',rcutoff,ncut,-1.0d0)
  60       call readi(controlcard,'IOPT',iopt,2)
  61       lside = index(controlcard,"SIDE").gt.0
  62       efree = index(controlcard,"EFREE").gt.0
  63       call readi(controlcard,'NTEMP',nT,1)
  64       write (iout,*) "nT",nT
  65       call multreada(controlcard,'TEMPER',beta_h,nT,300.0d0)
  66       write (iout,*) "nT",nT
  67       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  68       do i=1,nT
  69         beta_h(i)=1.0d0/(1.987D-3*beta_h(i))
  70       enddo
  71       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  72       lprint_cart=index(controlcard,"PRINT_CART") .gt.0
  73       lprint_int=index(controlcard,"PRINT_INT") .gt.0
  74       if (min_var) iopt=1
  75       return
  76       end
  77 c--------------------------------------------------------------------------
  78       subroutine molread
  79 C
  80 C Read molecular data.
  81 C
  82       implicit none
  83       include 'DIMENSIONS'
  84       include 'COMMON.IOUNITS'
  85       include 'COMMON.GEO'
  86       include 'COMMON.VAR'
  87       include 'COMMON.INTERACT'
  88       include 'COMMON.LOCAL'
  89       include 'COMMON.NAMES'
  90       include 'COMMON.CHAIN'
  91       include 'COMMON.FFIELD'
  92       include 'COMMON.SBRIDGE'
  93       include 'COMMON.HEADER'
  94       include 'COMMON.CONTROL'
  95       include 'COMMON.CONTACTS'
  96       include 'COMMON.TIME1'
  97 #ifdef MPL
  98       include 'COMMON.INFO'
  99 #endif
 100       character*4 sequence(maxres)
 101       character*800 weightcard
 102       integer rescode
 103       double precision x(maxvar)
 104       integer itype_pdb(maxres)
 105       logical seq_comp
 106       integer i,j,kkk
 107 C
 108 C Body
 109 C
 110 C Read weights of the subsequent energy terms.
 111       call card_concat(weightcard)
 112       call reada(weightcard,'WSC',wsc,1.0d0)
 113       call reada(weightcard,'WLONG',wsc,wsc)
 114       call reada(weightcard,'WSCP',wscp,1.0d0)
 115       call reada(weightcard,'WELEC',welec,1.0D0)
 116       call reada(weightcard,'WVDWPP',wvdwpp,welec)
 117       call reada(weightcard,'WEL_LOC',wel_loc,1.0D0)
 118       call reada(weightcard,'WCORR4',wcorr4,0.0D0)
 119       call reada(weightcard,'WCORR5',wcorr5,0.0D0)
 120       call reada(weightcard,'WCORR6',wcorr6,0.0D0)
 121       call reada(weightcard,'WTURN3',wturn3,1.0D0)
 122       call reada(weightcard,'WTURN4',wturn4,1.0D0)
 123       call reada(weightcard,'WTURN6',wturn6,1.0D0)
 124       call reada(weightcard,'WSTRAIN',wstrain,1.0D0)
 125       call reada(weightcard,'WSCCOR',wsccor,1.0D0)
 126       call reada(weightcard,'WBOND',wbond,1.0D0)
 127       call reada(weightcard,'WTOR',wtor,1.0D0)
 128       call reada(weightcard,'WTORD',wtor_d,1.0D0)
 129       call reada(weightcard,'WANG',wang,1.0D0)
 130       call reada(weightcard,'WSCLOC',wscloc,1.0D0)
 131       call reada(weightcard,'SCAL14',scal14,0.4D0)
 132       call reada(weightcard,'SCALSCP',scalscp,1.0d0)
 133       call reada(weightcard,'CUTOFF',cutoff_corr,7.0d0)
 134       call reada(weightcard,'DELT_CORR',delt_corr,0.5d0)
 135       if (index(weightcard,'SOFT').gt.0) ipot=6
 136 C 12/1/95 Added weight for the multi-body term WCORR
 137       call reada(weightcard,'WCORRH',wcorr,1.0D0)
 138       if (wcorr4.gt.0.0d0) wcorr=wcorr4
 139       weights(1)=wsc
 140       weights(2)=wscp
 141       weights(3)=welec
 142       weights(4)=wcorr
 143       weights(5)=wcorr5
 144       weights(6)=wcorr6
 145       weights(7)=wel_loc
 146       weights(8)=wturn3
 147       weights(9)=wturn4
 148       weights(10)=wturn6
 149       weights(11)=wang
 150       weights(12)=wscloc
 151       weights(13)=wtor
 152       weights(14)=wtor_d
 153       weights(15)=wstrain
 154       weights(16)=wvdwpp
 155       weights(17)=wbond
 156       weights(18)=scal14
 157       weights(19)=wsccor
 158       write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,
 159      &  wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wturn3,
 160      &  wturn4,wturn6,wsccor
 161    10 format (/'Energy-term weights (unscaled):'//
 162      & 'WSCC=   ',f10.6,' (SC-SC)'/
 163      & 'WSCP=   ',f10.6,' (SC-p)'/
 164      & 'WELEC=  ',f10.6,' (p-p electr)'/
 165      & 'WVDWPP= ',f10.6,' (p-p VDW)'/
 166      & 'WBOND=  ',f10.6,' (stretching)'/
 167      & 'WANG=   ',f10.6,' (bending)'/
 168      & 'WSCLOC= ',f10.6,' (SC local)'/
 169      & 'WTOR=   ',f10.6,' (torsional)'/
 170      & 'WTORD=  ',f10.6,' (double torsional)'/
 171      & 'WSTRAIN=',f10.6,' (SS bridges & dist. cnstr.)'/
 172      & 'WEL_LOC=',f10.6,' (multi-body 3-rd order)'/
 173      & 'WCORR4= ',f10.6,' (multi-body 4th order)'/
 174      & 'WCORR5= ',f10.6,' (multi-body 5th order)'/
 175      & 'WCORR6= ',f10.6,' (multi-body 6th order)'/
 176      & 'WTURN3= ',f10.6,' (turns, 3rd order)'/
 177      & 'WTURN4= ',f10.6,' (turns, 4th order)'/
 178      & 'WTURN6= ',f10.6,' (turns, 6th order)'/
 179      & 'WSCCOR= ',f10.6,' (SC-backbone torsinal correalations)')
 180
 181       if (wcorr4.gt.0.0d0) then
 182         write (iout,'(/2a/)') 'Local-electrostatic type correlation ',
 183      &   'between contact pairs of peptide groups'
 184         write (iout,'(2(a,f5.3/))')
 185      &  'Cutoff on 4-6th order correlation terms: ',cutoff_corr,
 186      &  'Range of quenching the correlation terms:',2*delt_corr
 187       else if (wcorr.gt.0.0d0) then
 188         write (iout,'(/2a/)') 'Hydrogen-bonding correlation ',
 189      &   'between contact pairs of peptide groups'
 190       endif
 191       write (iout,'(a,f8.3)')
 192      &  'Scaling factor of 1,4 SC-p interactions:',scal14
 193       write (iout,'(a,f8.3)')
 194      &  'General scaling factor of SC-p interactions:',scalscp
 195       r0_corr=cutoff_corr-delt_corr
 196       do i=1,20
 197         aad(i,1)=scalscp*aad(i,1)
 198         aad(i,2)=scalscp*aad(i,2)
 199         bad(i,1)=scalscp*bad(i,1)
 200         bad(i,2)=scalscp*bad(i,2)
 201       enddo
 202
 203       call flush(iout)
 204       print *,'indpdb=',indpdb,' pdbref=',pdbref
 205
 206 C Read sequence if not taken from the pdb file.
 207       if (iscode.gt.0) then
 208         read (inp,'(80a1)') (sequence(i)(1:1),i=1,nres)
 209       else
 210         read (inp,'(20(1x,a3))') (sequence(i),i=1,nres)
 211       endif
 212 C Convert sequence to numeric code
 213       do i=1,nres
 214         itype(i)=rescode(i,sequence(i),iscode)
 215       enddo
 216       print *,nres
 217       print '(20i4)',(itype(i),i=1,nres)
 218
 219       do i=1,nres
 220 #ifdef PROCOR
 221         if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then
 222 #else
 223         if (itype(i).eq.ntyp1) then
 224 #endif
 225           itel(i)=0
 226 #ifdef PROCOR
 227         else if (iabs(itype(i+1)).ne.20) then
 228 #else
 229         else if (iabs(itype(i)).ne.20) then
 230 #endif
 231           itel(i)=1
 232         else
 233           itel(i)=2
 234         endif
 235       enddo
 236       write (iout,*) "ITEL"
 237       do i=1,nres-1
 238         write (iout,*) i,itype(i),itel(i)
 239       enddo
 240
 241       print *,'Call Read_Bridge.'
 242       call read_bridge
 243       nnt=1
 244       nct=nres
 245       print *,'NNT=',NNT,' NCT=',NCT
 246       if (itype(1).eq.ntyp1) nnt=2
 247       if (itype(nres).eq.ntyp1) nct=nct-1
 248       if (nstart.lt.nnt) nstart=nnt
 249       if (nend.gt.nct .or. nend.eq.0) nend=nct
 250       write (iout,*) "nstart",nstart," nend",nend
 251       nres0=nres
 252 c      if (pdbref) then
 253 c        read(inp,'(a)') pdbfile
 254 c        write (iout,'(2a)') 'PDB data will be read from file ',pdbfile
 255 c        open(ipdbin,file=pdbfile,status='old',err=33)
 256 c        goto 34
 257 c  33    write (iout,'(a)') 'Error opening PDB file.'
 258 c        stop
 259 c  34    continue
 260 c        print *,'Begin reading pdb data'
 261 c        call readpdb
 262 c        print *,'Finished reading pdb data'
 263 c        write (iout,'(a,i3,a,i3)')'nsup=',nsup,' nstart_sup=',nstart_sup
 264 c        do i=1,nres
 265 c          itype_pdb(i)=itype(i)
 266 c        enddo
 267 c        close (ipdbin)
 268 c        write (iout,'(a,i3)') 'nsup=',nsup
 269 c        nstart_seq=nnt
 270 c        if (nsup.le.(nct-nnt+1)) then
 271 c          do i=0,nct-nnt+1-nsup
 272 c            if (seq_comp(itype(nnt+i),itype_pdb(nstart_sup),nsup)) then
 273 c              nstart_seq=nnt+i
 274 c              goto 111
 275 c            endif
 276 c          enddo
 277 c          write (iout,'(a)')
 278 c     &            'Error - sequences to be superposed do not match.'
 279 c          stop
 280 c        else
 281 c          do i=0,nsup-(nct-nnt+1)
 282 c            if (seq_comp(itype(nnt),itype_pdb(nstart_sup+i),nct-nnt+1))
 283 c     &      then
 284 c              nstart_sup=nstart_sup+i
 285 c              nsup=nct-nnt+1
 286 c              goto 111
 287 c            endif
 288 c          enddo
 289 c          write (iout,'(a)')
 290 c     &            'Error - sequences to be superposed do not match.'
 291 c        endif
 292 c  111   continue
 293 c        write (iout,*) 'nsup=',nsup,' nstart_sup=',nstart_sup,
 294 c     &                 ' nstart_seq=',nstart_seq
 295 c      endif
 296       call init_int_table
 297       call setup_var
 298       write (iout,*) "molread: REFSTR",refstr
 299       if (refstr) then
 300         if (.not.pdbref) then
 301           call read_angles(inp,*38)
 302           goto 39
 303    38     write (iout,'(a)') 'Error reading reference structure.'
 304 #ifdef MPL
 305           call mp_stopall(Error_Msg)
 306 #else
 307           stop 'Error reading reference structure'
 308 #endif
 309    39     call chainbuild
 310           nstart_sup=nnt
 311           nstart_seq=nnt
 312           nsup=nct-nnt+1
 313           kkk=1
 314           do i=1,2*nres
 315             do j=1,3
 316               cref(j,i,kkk)=c(j,i)
 317             enddo
 318           enddo
 319         endif
 320         call contact(.true.,ncont_ref,icont_ref)
 321       endif
 322       return
 323       end
 324 c-----------------------------------------------------------------------------
 325       logical function seq_comp(itypea,itypeb,length)
 326       implicit none
 327       integer length,itypea(length),itypeb(length)
 328       integer i
 329       do i=1,length
 330         if (itypea(i).ne.itypeb(i)) then
 331           seq_comp=.false.
 332           return
 333         endif
 334       enddo
 335       seq_comp=.true.
 336       return
 337       end
 338 c-----------------------------------------------------------------------------
 339       subroutine read_bridge
 340 C Read information about disulfide bridges.
 341       implicit none
 342       include 'DIMENSIONS'
 343       include 'COMMON.IOUNITS'
 344       include 'COMMON.GEO'
 345       include 'COMMON.VAR'
 346       include 'COMMON.INTERACT'
 347       include 'COMMON.LOCAL'
 348       include 'COMMON.NAMES'
 349       include 'COMMON.CHAIN'
 350       include 'COMMON.FFIELD'
 351       include 'COMMON.SBRIDGE'
 352       include 'COMMON.HEADER'
 353       include 'COMMON.CONTROL'
 354       include 'COMMON.TIME1'
 355 #ifdef MPL
 356       include 'COMMON.INFO'
 357 #endif
 358       integer i,j
 359 C Read bridging residues.
 360       read (inp,*) ns,(iss(i),i=1,ns)
 361       print *,'ns=',ns
 362 C Check whether the specified bridging residues are cystines.
 363       do i=1,ns
 364         if (itype(iss(i)).ne.1) then
 365           write (iout,'(2a,i3,a)')
 366      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 367      &   ' can form a disulfide bridge?!!!'
 368           write (*,'(2a,i3,a)')
 369      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 370      &   ' can form a disulfide bridge?!!!'
 371 #ifdef MPL
 372          call mp_stopall(error_msg)
 373 #else
 374          stop
 375 #endif
 376         endif
 377       enddo
 378 C Read preformed bridges.
 379       if (ns.gt.0) then
 380       read (inp,*) nss,(ihpb(i),jhpb(i),i=1,nss)
 381       if (nss.gt.0) then
 382         nhpb=nss
 383 C Check if the residues involved in bridges are in the specified list of
 384 C bridging residues.
 385         do i=1,nss
 386           do j=1,i-1
 387             if (ihpb(i).eq.ihpb(j).or.ihpb(i).eq.jhpb(j)
 388      &      .or.jhpb(i).eq.ihpb(j).or.jhpb(i).eq.jhpb(j)) then
 389               write (iout,'(a,i3,a)') 'Disulfide pair',i,
 390      &      ' contains residues present in other pairs.'
 391               write (*,'(a,i3,a)') 'Disulfide pair',i,
 392      &      ' contains residues present in other pairs.'
 393 #ifdef MPL
 394               call mp_stopall(error_msg)
 395 #else
 396               stop
 397 #endif
 398             endif
 399           enddo
 400           do j=1,ns
 401             if (ihpb(i).eq.iss(j)) goto 10
 402           enddo
 403           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 404    10     continue
 405           do j=1,ns
 406             if (jhpb(i).eq.iss(j)) goto 20
 407           enddo
 408           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 409    20     continue
 410           dhpb(i)=dbr
 411           forcon(i)=fbr
 412         enddo
 413         do i=1,nss
 414           ihpb(i)=ihpb(i)+nres
 415           jhpb(i)=jhpb(i)+nres
 416         enddo
 417       endif
 418       endif
 419       return
 420       end
 421 c----------------------------------------------------------------------------
 422       subroutine read_angles(kanal,*)
 423       implicit none
 424       include 'DIMENSIONS'
 425       include 'COMMON.GEO'
 426       include 'COMMON.VAR'
 427       include 'COMMON.CHAIN'
 428       include 'COMMON.IOUNITS'
 429       integer i,kanal
 430       read (kanal,*,err=10,end=10) (theta(i),i=3,nres)
 431       read (kanal,*,err=10,end=10) (phi(i),i=4,nres)
 432       read (kanal,*,err=10,end=10) (alph(i),i=2,nres-1)
 433       read (kanal,*,err=10,end=10) (omeg(i),i=2,nres-1)
 434       do i=1,nres
 435         theta(i)=deg2rad*theta(i)
 436         phi(i)=deg2rad*phi(i)
 437         alph(i)=deg2rad*alph(i)
 438         omeg(i)=deg2rad*omeg(i)
 439       enddo
 440       return
 441    10 return1
 442       end
 443 c----------------------------------------------------------------------------
 444       subroutine reada(rekord,lancuch,wartosc,default)
 445       implicit none
 446       character*(*) rekord,lancuch
 447       double precision wartosc,default
 448       integer ilen,iread
 449       external ilen
 450       iread=index(rekord,lancuch)
 451       if (iread.eq.0) then
 452         wartosc=default
 453         return
 454       endif
 455       iread=iread+ilen(lancuch)+1
 456       read (rekord(iread:),*) wartosc
 457       return
 458       end
 459 c----------------------------------------------------------------------------
 460       subroutine multreada(rekord,lancuch,tablica,dim,default)
 461       implicit none
 462       integer dim,i
 463       double precision tablica(dim),default
 464       character*(*) rekord,lancuch
 465       integer ilen,iread
 466       external ilen
 467       do i=1,dim
 468         tablica(i)=default
 469       enddo
 470       iread=index(rekord,lancuch)
 471       if (iread.eq.0) return
 472       iread=iread+ilen(lancuch)+1
 473       read (rekord(iread:),*,end=10,err=10) (tablica(i),i=1,dim)
 474    10 return
 475       end
 476 c----------------------------------------------------------------------------
 477       subroutine readi(rekord,lancuch,wartosc,default)
 478       implicit none
 479       character*(*) rekord,lancuch
 480       integer wartosc,default
 481       integer ilen,iread
 482       external ilen
 483       iread=index(rekord,lancuch)
 484       if (iread.eq.0) then
 485         wartosc=default
 486         return
 487       endif
 488       iread=iread+ilen(lancuch)+1
 489       read (rekord(iread:),*) wartosc
 490       return
 491       end
 492 c----------------------------------------------------------------------------
 493       subroutine card_concat(card)
 494       include 'DIMENSIONS'
 495       include 'COMMON.IOUNITS'
 496       character*(*) card
 497       character*80 karta,ucase
 498       external ilen
 499       read (inp,'(a)') karta
 500       karta=ucase(karta)
 501       card=' '
 502       do while (karta(80:80).eq.'&')
 503         card=card(:ilen(card)+1)//karta(:79)
 504         read (inp,'(a)') karta
 505         karta=ucase(karta)
 506       enddo
 507       card=card(:ilen(card)+1)//karta
 508       return
 509       end
 510 c----------------------------------------------------------------------------
 511       subroutine openunits
 512       implicit none
 513       include 'DIMENSIONS'
 514 #ifdef MPI
 515       include "mpif.h"
 516       character*3 liczba
 517       include "COMMON.MPI"
 518 #endif
 519       include 'COMMON.IOUNITS'
 520       include 'COMMON.CONTROL'
 521       integer lenpre,lenpot,ilen
 522       external ilen
 523       character*16 cformat,cprint
 524       character*16 ucase
 525       integer lenint,lenout
 526       call getenv('INPUT',prefix)
 527       call getenv('OUTPUT',prefout)
 528       call getenv('INTIN',prefintin)
 529       call getenv('COORD',cformat)
 530       call getenv('PRINTCOOR',cprint)
 531       call getenv('SCRATCHDIR',scratchdir)
 532       from_bx=.true.
 533       from_cx=.false.
 534       if (index(ucase(cformat),'CX').gt.0) then
 535         from_cx=.true.
 536         from_bx=.false.
 537       endif
 538       from_cart=.true.
 539       lenpre=ilen(prefix)
 540       lenout=ilen(prefout)
 541       lenint=ilen(prefintin)
 542 C Get the names and open the input files
 543       open (inp,file=prefix(:ilen(prefix))//'.inp',status='old')
 544 #ifdef MPI
 545       write (liczba,'(bz,i3.3)') me
 546       outname=prefout(:lenout)//'_clust.out_'//liczba
 547 #else
 548       outname=prefout(:lenout)//'_clust.out'
 549 #endif
 550       if (from_bx) then
 551         intinname=prefintin(:lenint)//'.bx'
 552       else if (from_cx) then
 553         intinname=prefintin(:lenint)//'.cx'
 554       else
 555         intinname=prefintin(:lenint)//'.int'
 556       endif
 557       rmsname=prefintin(:lenint)//'.rms'
 558       open (jplot,file=prefout(:ilen(prefout))//'.tex',
 559      &       status='unknown')
 560       open (jrms,file=rmsname,status='unknown')
 561       open(iout,file=outname,status='unknown')
 562 C Get parameter filenames and open the parameter files.
 563       call getenv('BONDPAR',bondname)
 564       open (ibond,file=bondname,status='old')
 565       call getenv('THETPAR',thetname)
 566       open (ithep,file=thetname,status='old')
 567       call getenv('ROTPAR',rotname)
 568       open (irotam,file=rotname,status='old')
 569       call getenv('TORPAR',torname)
 570       open (itorp,file=torname,status='old')
 571       call getenv('TORDPAR',tordname)
 572       open (itordp,file=tordname,status='old')
 573       call getenv('FOURIER',fouriername)
 574       open (ifourier,file=fouriername,status='old')
 575       call getenv('ELEPAR',elename)
 576       open (ielep,file=elename,status='old')
 577       call getenv('SIDEPAR',sidename)
 578       open (isidep,file=sidename,status='old')
 579       call getenv('SIDEP',sidepname)
 580       open (isidep1,file=sidepname,status="old")
 581       call getenv('SCCORPAR',sccorname)
 582       open (isccor,file=sccorname,status="old")
 583 #ifndef OLDSCP
 584 C
 585 C 8/9/01 In the newest version SCp interaction constants are read from a file
 586 C Use -DOLDSCP to use hard-coded constants instead.
 587 C
 588       call getenv('SCPPAR',scpname)
 589       open (iscpp,file=scpname,status='old')
 590 #endif
 591       return
 592       end