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       include "COMMON.SPLITELE"
  19       character*320 controlcard,ucase
  20 #ifdef MPL
  21       include 'COMMON.INFO'
  22 #endif
  23       integer i
  24
  25       read (INP,'(a80)') titel
  26       call card_concat(controlcard)
  27
  28       call readi(controlcard,'NRES',nres,0)
  29       call readi(controlcard,'RESCALE',rescale_mode,2)
  30       call reada(controlcard,'DISTCHAINMAX',distchainmax,50.0d0)
  31       write (iout,*) "DISTCHAINMAX",distchainmax
  32 C Reading the dimensions of box in x,y,z coordinates
  33       call reada(controlcard,'BOXX',boxxsize,100.0d0)
  34       call reada(controlcard,'BOXY',boxysize,100.0d0)
  35       call reada(controlcard,'BOXZ',boxzsize,100.0d0)
  36 c Cutoff range for interactions
  37       call reada(controlcard,"R_CUT",r_cut,15.0d0)
  38       call reada(controlcard,"LAMBDA",rlamb,0.3d0)
  39       call readi(controlcard,'PDBOUT',outpdb,0)
  40       call readi(controlcard,'MOL2OUT',outmol2,0)
  41       refstr=(index(controlcard,'REFSTR').gt.0)
  42       write (iout,*) "REFSTR",refstr
  43       pdbref=(index(controlcard,'PDBREF').gt.0)
  44       iscode=index(controlcard,'ONE_LETTER')
  45       tree=(index(controlcard,'MAKE_TREE').gt.0)
  46       min_var=(index(controlcard,'MINVAR').gt.0)
  47       plot_tree=(index(controlcard,'PLOT_TREE').gt.0)
  48       punch_dist=(index(controlcard,'PUNCH_DIST').gt.0)
  49       call readi(controlcard,'NCUT',ncut,1)
  50       call readi(controlcard,'SYM',symetr,1)
  51       write (iout,*) 'sym', symetr
  52       call readi(controlcard,'NSTART',nstart,0)
  53       call readi(controlcard,'NEND',nend,0)
  54       call reada(controlcard,'ECUT',ecut,10.0d0)
  55       call reada(controlcard,'PROB',prob_limit,0.99d0)
  56       write (iout,*) "Probability limit",prob_limit
  57       lgrp=(index(controlcard,'LGRP').gt.0)
  58       caonly=(index(controlcard,'CA_ONLY').gt.0)
  59       print_dist=(index(controlcard,'PRINT_DIST').gt.0)
  60       call multreada(controlcard,'CUTOFF',rcutoff,ncut,-1.0d0)
  61       call readi(controlcard,'IOPT',iopt,2)
  62       lside = index(controlcard,"SIDE").gt.0
  63       efree = index(controlcard,"EFREE").gt.0
  64       call readi(controlcard,'NTEMP',nT,1)
  65       write (iout,*) "nT",nT
  66       call multreada(controlcard,'TEMPER',beta_h,nT,300.0d0)
  67       write (iout,*) "nT",nT
  68       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  69       do i=1,nT
  70         beta_h(i)=1.0d0/(1.987D-3*beta_h(i))
  71       enddo
  72       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  73       lprint_cart=index(controlcard,"PRINT_CART") .gt.0
  74       lprint_int=index(controlcard,"PRINT_INT") .gt.0
  75       if (min_var) iopt=1
  76       return
  77       end
  78 c--------------------------------------------------------------------------
  79       subroutine molread
  80 C
  81 C Read molecular data.
  82 C
  83       implicit none
  84       include 'DIMENSIONS'
  85       include 'COMMON.IOUNITS'
  86       include 'COMMON.GEO'
  87       include 'COMMON.VAR'
  88       include 'COMMON.INTERACT'
  89       include 'COMMON.LOCAL'
  90       include 'COMMON.NAMES'
  91       include 'COMMON.CHAIN'
  92       include 'COMMON.FFIELD'
  93       include 'COMMON.SBRIDGE'
  94       include 'COMMON.HEADER'
  95       include 'COMMON.CONTROL'
  96       include 'COMMON.CONTACTS'
  97       include 'COMMON.TIME1'
  98 #ifdef MPL
  99       include 'COMMON.INFO'
 100 #endif
 101       character*4 sequence(maxres)
 102       character*800 weightcard
 103       integer rescode
 104       double precision x(maxvar)
 105       integer itype_pdb(maxres)
 106       logical seq_comp
 107       integer i,j,kkk
 108 C
 109 C Body
 110 C
 111 C Read weights of the subsequent energy terms.
 112       call card_concat(weightcard)
 113       call reada(weightcard,'WSC',wsc,1.0d0)
 114       call reada(weightcard,'WLONG',wsc,wsc)
 115       call reada(weightcard,'WSCP',wscp,1.0d0)
 116       call reada(weightcard,'WELEC',welec,1.0D0)
 117       call reada(weightcard,'WVDWPP',wvdwpp,welec)
 118       call reada(weightcard,'WEL_LOC',wel_loc,1.0D0)
 119       call reada(weightcard,'WCORR4',wcorr4,0.0D0)
 120       call reada(weightcard,'WCORR5',wcorr5,0.0D0)
 121       call reada(weightcard,'WCORR6',wcorr6,0.0D0)
 122       call reada(weightcard,'WTURN3',wturn3,1.0D0)
 123       call reada(weightcard,'WTURN4',wturn4,1.0D0)
 124       call reada(weightcard,'WTURN6',wturn6,1.0D0)
 125       call reada(weightcard,'WSTRAIN',wstrain,1.0D0)
 126       call reada(weightcard,'WSCCOR',wsccor,1.0D0)
 127       call reada(weightcard,'WBOND',wbond,1.0D0)
 128       call reada(weightcard,'WTOR',wtor,1.0D0)
 129       call reada(weightcard,'WTORD',wtor_d,1.0D0)
 130       call reada(weightcard,'WANG',wang,1.0D0)
 131       call reada(weightcard,'WSCLOC',wscloc,1.0D0)
 132       call reada(weightcard,'SCAL14',scal14,0.4D0)
 133       call reada(weightcard,'SCALSCP',scalscp,1.0d0)
 134       call reada(weightcard,'CUTOFF',cutoff_corr,7.0d0)
 135       call reada(weightcard,'DELT_CORR',delt_corr,0.5d0)
 136       if (index(weightcard,'SOFT').gt.0) ipot=6
 137 C 12/1/95 Added weight for the multi-body term WCORR
 138       call reada(weightcard,'WCORRH',wcorr,1.0D0)
 139       if (wcorr4.gt.0.0d0) wcorr=wcorr4
 140       weights(1)=wsc
 141       weights(2)=wscp
 142       weights(3)=welec
 143       weights(4)=wcorr
 144       weights(5)=wcorr5
 145       weights(6)=wcorr6
 146       weights(7)=wel_loc
 147       weights(8)=wturn3
 148       weights(9)=wturn4
 149       weights(10)=wturn6
 150       weights(11)=wang
 151       weights(12)=wscloc
 152       weights(13)=wtor
 153       weights(14)=wtor_d
 154       weights(15)=wstrain
 155       weights(16)=wvdwpp
 156       weights(17)=wbond
 157       weights(18)=scal14
 158       weights(19)=wsccor
 159       write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,
 160      &  wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wturn3,
 161      &  wturn4,wturn6,wsccor
 162    10 format (/'Energy-term weights (unscaled):'//
 163      & 'WSCC=   ',f10.6,' (SC-SC)'/
 164      & 'WSCP=   ',f10.6,' (SC-p)'/
 165      & 'WELEC=  ',f10.6,' (p-p electr)'/
 166      & 'WVDWPP= ',f10.6,' (p-p VDW)'/
 167      & 'WBOND=  ',f10.6,' (stretching)'/
 168      & 'WANG=   ',f10.6,' (bending)'/
 169      & 'WSCLOC= ',f10.6,' (SC local)'/
 170      & 'WTOR=   ',f10.6,' (torsional)'/
 171      & 'WTORD=  ',f10.6,' (double torsional)'/
 172      & 'WSTRAIN=',f10.6,' (SS bridges & dist. cnstr.)'/
 173      & 'WEL_LOC=',f10.6,' (multi-body 3-rd order)'/
 174      & 'WCORR4= ',f10.6,' (multi-body 4th order)'/
 175      & 'WCORR5= ',f10.6,' (multi-body 5th order)'/
 176      & 'WCORR6= ',f10.6,' (multi-body 6th order)'/
 177      & 'WTURN3= ',f10.6,' (turns, 3rd order)'/
 178      & 'WTURN4= ',f10.6,' (turns, 4th order)'/
 179      & 'WTURN6= ',f10.6,' (turns, 6th order)'/
 180      & 'WSCCOR= ',f10.6,' (SC-backbone torsinal correalations)')
 181
 182       if (wcorr4.gt.0.0d0) then
 183         write (iout,'(/2a/)') 'Local-electrostatic type correlation ',
 184      &   'between contact pairs of peptide groups'
 185         write (iout,'(2(a,f5.3/))')
 186      &  'Cutoff on 4-6th order correlation terms: ',cutoff_corr,
 187      &  'Range of quenching the correlation terms:',2*delt_corr
 188       else if (wcorr.gt.0.0d0) then
 189         write (iout,'(/2a/)') 'Hydrogen-bonding correlation ',
 190      &   'between contact pairs of peptide groups'
 191       endif
 192       write (iout,'(a,f8.3)')
 193      &  'Scaling factor of 1,4 SC-p interactions:',scal14
 194       write (iout,'(a,f8.3)')
 195      &  'General scaling factor of SC-p interactions:',scalscp
 196       r0_corr=cutoff_corr-delt_corr
 197       do i=1,20
 198         aad(i,1)=scalscp*aad(i,1)
 199         aad(i,2)=scalscp*aad(i,2)
 200         bad(i,1)=scalscp*bad(i,1)
 201         bad(i,2)=scalscp*bad(i,2)
 202       enddo
 203
 204       call flush(iout)
 205       print *,'indpdb=',indpdb,' pdbref=',pdbref
 206
 207 C Read sequence if not taken from the pdb file.
 208       if (iscode.gt.0) then
 209         read (inp,'(80a1)') (sequence(i)(1:1),i=1,nres)
 210       else
 211         read (inp,'(20(1x,a3))') (sequence(i),i=1,nres)
 212       endif
 213 C Convert sequence to numeric code
 214       do i=1,nres
 215         itype(i)=rescode(i,sequence(i),iscode)
 216       enddo
 217       print *,nres
 218       print '(20i4)',(itype(i),i=1,nres)
 219
 220       do i=1,nres
 221 #ifdef PROCOR
 222         if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then
 223 #else
 224         if (itype(i).eq.ntyp1) then
 225 #endif
 226           itel(i)=0
 227 #ifdef PROCOR
 228         else if (iabs(itype(i+1)).ne.20) then
 229 #else
 230         else if (iabs(itype(i)).ne.20) then
 231 #endif
 232           itel(i)=1
 233         else
 234           itel(i)=2
 235         endif
 236       enddo
 237       write (iout,*) "ITEL"
 238       do i=1,nres-1
 239         write (iout,*) i,itype(i),itel(i)
 240       enddo
 241
 242       print *,'Call Read_Bridge.'
 243       call read_bridge
 244       nnt=1
 245       nct=nres
 246       print *,'NNT=',NNT,' NCT=',NCT
 247       if (itype(1).eq.ntyp1) nnt=2
 248       if (itype(nres).eq.ntyp1) nct=nct-1
 249       if (nstart.lt.nnt) nstart=nnt
 250       if (nend.gt.nct .or. nend.eq.0) nend=nct
 251       write (iout,*) "nstart",nstart," nend",nend
 252       nres0=nres
 253 c      if (pdbref) then
 254 c        read(inp,'(a)') pdbfile
 255 c        write (iout,'(2a)') 'PDB data will be read from file ',pdbfile
 256 c        open(ipdbin,file=pdbfile,status='old',err=33)
 257 c        goto 34
 258 c  33    write (iout,'(a)') 'Error opening PDB file.'
 259 c        stop
 260 c  34    continue
 261 c        print *,'Begin reading pdb data'
 262 c        call readpdb
 263 c        print *,'Finished reading pdb data'
 264 c        write (iout,'(a,i3,a,i3)')'nsup=',nsup,' nstart_sup=',nstart_sup
 265 c        do i=1,nres
 266 c          itype_pdb(i)=itype(i)
 267 c        enddo
 268 c        close (ipdbin)
 269 c        write (iout,'(a,i3)') 'nsup=',nsup
 270 c        nstart_seq=nnt
 271 c        if (nsup.le.(nct-nnt+1)) then
 272 c          do i=0,nct-nnt+1-nsup
 273 c            if (seq_comp(itype(nnt+i),itype_pdb(nstart_sup),nsup)) then
 274 c              nstart_seq=nnt+i
 275 c              goto 111
 276 c            endif
 277 c          enddo
 278 c          write (iout,'(a)')
 279 c     &            'Error - sequences to be superposed do not match.'
 280 c          stop
 281 c        else
 282 c          do i=0,nsup-(nct-nnt+1)
 283 c            if (seq_comp(itype(nnt),itype_pdb(nstart_sup+i),nct-nnt+1))
 284 c     &      then
 285 c              nstart_sup=nstart_sup+i
 286 c              nsup=nct-nnt+1
 287 c              goto 111
 288 c            endif
 289 c          enddo
 290 c          write (iout,'(a)')
 291 c     &            'Error - sequences to be superposed do not match.'
 292 c        endif
 293 c  111   continue
 294 c        write (iout,*) 'nsup=',nsup,' nstart_sup=',nstart_sup,
 295 c     &                 ' nstart_seq=',nstart_seq
 296 c      endif
 297       call init_int_table
 298       call setup_var
 299       write (iout,*) "molread: REFSTR",refstr
 300       if (refstr) then
 301         if (.not.pdbref) then
 302           call read_angles(inp,*38)
 303           goto 39
 304    38     write (iout,'(a)') 'Error reading reference structure.'
 305 #ifdef MPL
 306           call mp_stopall(Error_Msg)
 307 #else
 308           stop 'Error reading reference structure'
 309 #endif
 310    39     call chainbuild
 311           nstart_sup=nnt
 312           nstart_seq=nnt
 313           nsup=nct-nnt+1
 314           kkk=1
 315           do i=1,2*nres
 316             do j=1,3
 317               cref(j,i,kkk)=c(j,i)
 318             enddo
 319           enddo
 320         endif
 321         call contact(.true.,ncont_ref,icont_ref)
 322       endif
 323       return
 324       end
 325 c-----------------------------------------------------------------------------
 326       logical function seq_comp(itypea,itypeb,length)
 327       implicit none
 328       integer length,itypea(length),itypeb(length)
 329       integer i
 330       do i=1,length
 331         if (itypea(i).ne.itypeb(i)) then
 332           seq_comp=.false.
 333           return
 334         endif
 335       enddo
 336       seq_comp=.true.
 337       return
 338       end
 339 c-----------------------------------------------------------------------------
 340       subroutine read_bridge
 341 C Read information about disulfide bridges.
 342       implicit none
 343       include 'DIMENSIONS'
 344       include 'COMMON.IOUNITS'
 345       include 'COMMON.GEO'
 346       include 'COMMON.VAR'
 347       include 'COMMON.INTERACT'
 348       include 'COMMON.LOCAL'
 349       include 'COMMON.NAMES'
 350       include 'COMMON.CHAIN'
 351       include 'COMMON.FFIELD'
 352       include 'COMMON.SBRIDGE'
 353       include 'COMMON.HEADER'
 354       include 'COMMON.CONTROL'
 355       include 'COMMON.TIME1'
 356 #ifdef MPL
 357       include 'COMMON.INFO'
 358 #endif
 359       integer i,j
 360 C Read bridging residues.
 361       read (inp,*) ns,(iss(i),i=1,ns)
 362       print *,'ns=',ns
 363 C Check whether the specified bridging residues are cystines.
 364       do i=1,ns
 365         if (itype(iss(i)).ne.1) then
 366           write (iout,'(2a,i3,a)')
 367      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 368      &   ' can form a disulfide bridge?!!!'
 369           write (*,'(2a,i3,a)')
 370      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 371      &   ' can form a disulfide bridge?!!!'
 372 #ifdef MPL
 373          call mp_stopall(error_msg)
 374 #else
 375          stop
 376 #endif
 377         endif
 378       enddo
 379 C Read preformed bridges.
 380       if (ns.gt.0) then
 381       read (inp,*) nss,(ihpb(i),jhpb(i),i=1,nss)
 382       if (nss.gt.0) then
 383         nhpb=nss
 384 C Check if the residues involved in bridges are in the specified list of
 385 C bridging residues.
 386         do i=1,nss
 387           do j=1,i-1
 388             if (ihpb(i).eq.ihpb(j).or.ihpb(i).eq.jhpb(j)
 389      &      .or.jhpb(i).eq.ihpb(j).or.jhpb(i).eq.jhpb(j)) then
 390               write (iout,'(a,i3,a)') 'Disulfide pair',i,
 391      &      ' contains residues present in other pairs.'
 392               write (*,'(a,i3,a)') 'Disulfide pair',i,
 393      &      ' contains residues present in other pairs.'
 394 #ifdef MPL
 395               call mp_stopall(error_msg)
 396 #else
 397               stop
 398 #endif
 399             endif
 400           enddo
 401           do j=1,ns
 402             if (ihpb(i).eq.iss(j)) goto 10
 403           enddo
 404           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 405    10     continue
 406           do j=1,ns
 407             if (jhpb(i).eq.iss(j)) goto 20
 408           enddo
 409           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 410    20     continue
 411           dhpb(i)=dbr
 412           forcon(i)=fbr
 413         enddo
 414         do i=1,nss
 415           ihpb(i)=ihpb(i)+nres
 416           jhpb(i)=jhpb(i)+nres
 417         enddo
 418       endif
 419       endif
 420       return
 421       end
 422 c----------------------------------------------------------------------------
 423       subroutine read_angles(kanal,*)
 424       implicit none
 425       include 'DIMENSIONS'
 426       include 'COMMON.GEO'
 427       include 'COMMON.VAR'
 428       include 'COMMON.CHAIN'
 429       include 'COMMON.IOUNITS'
 430       integer i,kanal
 431       read (kanal,*,err=10,end=10) (theta(i),i=3,nres)
 432       read (kanal,*,err=10,end=10) (phi(i),i=4,nres)
 433       read (kanal,*,err=10,end=10) (alph(i),i=2,nres-1)
 434       read (kanal,*,err=10,end=10) (omeg(i),i=2,nres-1)
 435       do i=1,nres
 436         theta(i)=deg2rad*theta(i)
 437         phi(i)=deg2rad*phi(i)
 438         alph(i)=deg2rad*alph(i)
 439         omeg(i)=deg2rad*omeg(i)
 440       enddo
 441       return
 442    10 return1
 443       end
 444 c----------------------------------------------------------------------------
 445       subroutine reada(rekord,lancuch,wartosc,default)
 446       implicit none
 447       character*(*) rekord,lancuch
 448       double precision wartosc,default
 449       integer ilen,iread
 450       external ilen
 451       iread=index(rekord,lancuch)
 452       if (iread.eq.0) then
 453         wartosc=default
 454         return
 455       endif
 456       iread=iread+ilen(lancuch)+1
 457       read (rekord(iread:),*) wartosc
 458       return
 459       end
 460 c----------------------------------------------------------------------------
 461       subroutine multreada(rekord,lancuch,tablica,dim,default)
 462       implicit none
 463       integer dim,i
 464       double precision tablica(dim),default
 465       character*(*) rekord,lancuch
 466       integer ilen,iread
 467       external ilen
 468       do i=1,dim
 469         tablica(i)=default
 470       enddo
 471       iread=index(rekord,lancuch)
 472       if (iread.eq.0) return
 473       iread=iread+ilen(lancuch)+1
 474       read (rekord(iread:),*,end=10,err=10) (tablica(i),i=1,dim)
 475    10 return
 476       end
 477 c----------------------------------------------------------------------------
 478       subroutine readi(rekord,lancuch,wartosc,default)
 479       implicit none
 480       character*(*) rekord,lancuch
 481       integer wartosc,default
 482       integer ilen,iread
 483       external ilen
 484       iread=index(rekord,lancuch)
 485       if (iread.eq.0) then
 486         wartosc=default
 487         return
 488       endif
 489       iread=iread+ilen(lancuch)+1
 490       read (rekord(iread:),*) wartosc
 491       return
 492       end
 493 c----------------------------------------------------------------------------
 494       subroutine card_concat(card)
 495       include 'DIMENSIONS'
 496       include 'COMMON.IOUNITS'
 497       character*(*) card
 498       character*80 karta,ucase
 499       external ilen
 500       read (inp,'(a)') karta
 501       karta=ucase(karta)
 502       card=' '
 503       do while (karta(80:80).eq.'&')
 504         card=card(:ilen(card)+1)//karta(:79)
 505         read (inp,'(a)') karta
 506         karta=ucase(karta)
 507       enddo
 508       card=card(:ilen(card)+1)//karta
 509       return
 510       end
 511 c----------------------------------------------------------------------------
 512       subroutine openunits
 513       implicit none
 514       include 'DIMENSIONS'
 515 #ifdef MPI
 516       include "mpif.h"
 517       character*3 liczba
 518       include "COMMON.MPI"
 519 #endif
 520       include 'COMMON.IOUNITS'
 521       include 'COMMON.CONTROL'
 522       integer lenpre,lenpot,ilen
 523       external ilen
 524       character*16 cformat,cprint
 525       character*16 ucase
 526       integer lenint,lenout
 527       call getenv('INPUT',prefix)
 528       call getenv('OUTPUT',prefout)
 529       call getenv('INTIN',prefintin)
 530       call getenv('COORD',cformat)
 531       call getenv('PRINTCOOR',cprint)
 532       call getenv('SCRATCHDIR',scratchdir)
 533       from_bx=.true.
 534       from_cx=.false.
 535       if (index(ucase(cformat),'CX').gt.0) then
 536         from_cx=.true.
 537         from_bx=.false.
 538       endif
 539       from_cart=.true.
 540       lenpre=ilen(prefix)
 541       lenout=ilen(prefout)
 542       lenint=ilen(prefintin)
 543 C Get the names and open the input files
 544       open (inp,file=prefix(:ilen(prefix))//'.inp',status='old')
 545 #ifdef MPI
 546       write (liczba,'(bz,i3.3)') me
 547       outname=prefout(:lenout)//'_clust.out_'//liczba
 548 #else
 549       outname=prefout(:lenout)//'_clust.out'
 550 #endif
 551       if (from_bx) then
 552         intinname=prefintin(:lenint)//'.bx'
 553       else if (from_cx) then
 554         intinname=prefintin(:lenint)//'.cx'
 555       else
 556         intinname=prefintin(:lenint)//'.int'
 557       endif
 558       rmsname=prefintin(:lenint)//'.rms'
 559       open (jplot,file=prefout(:ilen(prefout))//'.tex',
 560      &       status='unknown')
 561       open (jrms,file=rmsname,status='unknown')
 562       open(iout,file=outname,status='unknown')
 563 C Get parameter filenames and open the parameter files.
 564       call getenv('BONDPAR',bondname)
 565       open (ibond,file=bondname,status='old')
 566       call getenv('THETPAR',thetname)
 567       open (ithep,file=thetname,status='old')
 568       call getenv('ROTPAR',rotname)
 569       open (irotam,file=rotname,status='old')
 570       call getenv('TORPAR',torname)
 571       open (itorp,file=torname,status='old')
 572       call getenv('TORDPAR',tordname)
 573       open (itordp,file=tordname,status='old')
 574       call getenv('FOURIER',fouriername)
 575       open (ifourier,file=fouriername,status='old')
 576       call getenv('ELEPAR',elename)
 577       open (ielep,file=elename,status='old')
 578       call getenv('SIDEPAR',sidename)
 579       open (isidep,file=sidename,status='old')
 580       call getenv('SIDEP',sidepname)
 581       open (isidep1,file=sidepname,status="old")
 582       call getenv('SCCORPAR',sccorname)
 583       open (isccor,file=sccorname,status="old")
 584 #ifndef OLDSCP
 585 C
 586 C 8/9/01 In the newest version SCp interaction constants are read from a file
 587 C Use -DOLDSCP to use hard-coded constants instead.
 588 C
 589       call getenv('SCPPAR',scpname)
 590       open (iscpp,file=scpname,status='old')
 591 #endif
 592       return
 593       end