source/cluster/wham/src-M-NEWCORR/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,1)
  42       call readi(controlcard,'SYM',symetr,1)
  43       write (iout,*) 'sym', symetr
  44       call readi(controlcard,'NSTART',nstart,0)
  45       call readi(controlcard,'NEND',nend,0)
  46       call reada(controlcard,'ECUT',ecut,10.0d0)
  47       call reada(controlcard,'PROB',prob_limit,0.99d0)
  48       write (iout,*) "Probability limit",prob_limit
  49       lgrp=(index(controlcard,'LGRP').gt.0)
  50       caonly=(index(controlcard,'CA_ONLY').gt.0)
  51       print_dist=(index(controlcard,'PRINT_DIST').gt.0)
  52       call multreada(controlcard,'CUTOFF',rcutoff,ncut,-1.0d0)
  53       call readi(controlcard,'IOPT',iopt,2)
  54       lside = index(controlcard,"SIDE").gt.0
  55       efree = index(controlcard,"EFREE").gt.0
  56       call readi(controlcard,'NTEMP',nT,1)
  57       write (iout,*) "nT",nT
  58       call multreada(controlcard,'TEMPER',beta_h,nT,300.0d0)
  59       write (iout,*) "nT",nT
  60       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  61       do i=1,nT
  62         beta_h(i)=1.0d0/(1.987D-3*beta_h(i))
  63       enddo
  64       write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
  65       lprint_cart=index(controlcard,"PRINT_CART") .gt.0
  66       lprint_int=index(controlcard,"PRINT_INT") .gt.0
  67       with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0
  68       if (min_var) iopt=1
  69       return
  70       end
  71 c--------------------------------------------------------------------------
  72       subroutine molread
  73 C
  74 C Read molecular data.
  75 C
  76       implicit none
  77       include 'DIMENSIONS'
  78       include 'COMMON.IOUNITS'
  79       include 'COMMON.GEO'
  80       include 'COMMON.VAR'
  81       include 'COMMON.INTERACT'
  82       include 'COMMON.LOCAL'
  83       include 'COMMON.NAMES'
  84       include 'COMMON.CHAIN'
  85       include 'COMMON.FFIELD'
  86       include 'COMMON.SBRIDGE'
  87       include 'COMMON.HEADER'
  88       include 'COMMON.CONTROL'
  89       include 'COMMON.CONTACTS'
  90       include 'COMMON.TIME1'
  91       include 'COMMON.TORCNSTR'
  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,kkk
 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 #ifdef AIX
 199       call flush_(iout)
 200 #else
 201       call flush(iout)
 202 #endif
 203       print *,'indpdb=',indpdb,' pdbref=',pdbref
 204
 205 C Read sequence if not taken from the pdb file.
 206       if (iscode.gt.0) then
 207         read (inp,'(80a1)') (sequence(i)(1:1),i=1,nres)
 208       else
 209         read (inp,'(20(1x,a3))') (sequence(i),i=1,nres)
 210       endif
 211 C Convert sequence to numeric code
 212       do i=1,nres
 213         itype(i)=rescode(i,sequence(i),iscode)
 214       enddo
 215       print *,nres
 216       print '(20i4)',(itype(i),i=1,nres)
 217
 218       do i=1,nres
 219 #ifdef PROCOR
 220         if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then
 221 #else
 222         if (itype(i).eq.ntyp1) then
 223 #endif
 224           itel(i)=0
 225 #ifdef PROCOR
 226         else if (iabs(itype(i+1)).ne.20) then
 227 #else
 228         else if (iabs(itype(i)).ne.20) then
 229 #endif
 230           itel(i)=1
 231         else
 232           itel(i)=2
 233         endif
 234       enddo
 235       write (iout,*) "ITEL"
 236       do i=1,nres-1
 237         write (iout,*) i,itype(i),itel(i)
 238       enddo
 239
 240       print *,'Call Read_Bridge.'
 241       call read_bridge
 242
 243       if (with_dihed_constr) then
 244
 245       read (inp,*) ndih_constr
 246       write (iout,*) "ndih_constr",ndih_constr
 247       if (ndih_constr.gt.0) then
 248         read (inp,*) ftors
 249         write (iout,*) 'FTORS',ftors
 250         read (inp,*) (idih_constr(i),phi0(i),drange(i),i=1,ndih_constr)
 251         write (iout,*)
 252      &   'There are',ndih_constr,' constraints on phi angles.'
 253         do i=1,ndih_constr
 254           write (iout,'(i5,2f8.3)') idih_constr(i),phi0(i),drange(i)
 255         enddo
 256         do i=1,ndih_constr
 257           phi0(i)=deg2rad*phi0(i)
 258           drange(i)=deg2rad*drange(i)
 259         enddo
 260       endif
 261
 262       endif
 263
 264       nnt=1
 265       nct=nres
 266       print *,'NNT=',NNT,' NCT=',NCT
 267       if (itype(1).eq.ntyp1) nnt=2
 268       if (itype(nres).eq.ntyp1) nct=nct-1
 269       if (nstart.lt.nnt) nstart=nnt
 270       if (nend.gt.nct .or. nend.eq.0) nend=nct
 271       write (iout,*) "nstart",nstart," nend",nend
 272       nres0=nres
 273 c      if (pdbref) then
 274 c        read(inp,'(a)') pdbfile
 275 c        write (iout,'(2a)') 'PDB data will be read from file ',pdbfile
 276 c        open(ipdbin,file=pdbfile,status='old',err=33)
 277 c        goto 34
 278 c  33    write (iout,'(a)') 'Error opening PDB file.'
 279 c        stop
 280 c  34    continue
 281 c        print *,'Begin reading pdb data'
 282 c        call readpdb
 283 c        print *,'Finished reading pdb data'
 284 c        write (iout,'(a,i3,a,i3)')'nsup=',nsup,' nstart_sup=',nstart_sup
 285 c        do i=1,nres
 286 c          itype_pdb(i)=itype(i)
 287 c        enddo
 288 c        close (ipdbin)
 289 c        write (iout,'(a,i3)') 'nsup=',nsup
 290 c        nstart_seq=nnt
 291 c        if (nsup.le.(nct-nnt+1)) then
 292 c          do i=0,nct-nnt+1-nsup
 293 c            if (seq_comp(itype(nnt+i),itype_pdb(nstart_sup),nsup)) then
 294 c              nstart_seq=nnt+i
 295 c              goto 111
 296 c            endif
 297 c          enddo
 298 c          write (iout,'(a)')
 299 c     &            'Error - sequences to be superposed do not match.'
 300 c          stop
 301 c        else
 302 c          do i=0,nsup-(nct-nnt+1)
 303 c            if (seq_comp(itype(nnt),itype_pdb(nstart_sup+i),nct-nnt+1))
 304 c     &      then
 305 c              nstart_sup=nstart_sup+i
 306 c              nsup=nct-nnt+1
 307 c              goto 111
 308 c            endif
 309 c          enddo
 310 c          write (iout,'(a)')
 311 c     &            'Error - sequences to be superposed do not match.'
 312 c        endif
 313 c  111   continue
 314 c        write (iout,*) 'nsup=',nsup,' nstart_sup=',nstart_sup,
 315 c     &                 ' nstart_seq=',nstart_seq
 316 c      endif
 317       call init_int_table
 318       call setup_var
 319       write (iout,*) "molread: REFSTR",refstr
 320       if (refstr) then
 321         if (.not.pdbref) then
 322           call read_angles(inp,*38)
 323           goto 39
 324    38     write (iout,'(a)') 'Error reading reference structure.'
 325 #ifdef MPL
 326           call mp_stopall(Error_Msg)
 327 #else
 328           stop 'Error reading reference structure'
 329 #endif
 330    39     call chainbuild
 331           nstart_sup=nnt
 332           nstart_seq=nnt
 333           nsup=nct-nnt+1
 334           kkk=1
 335           do i=1,2*nres
 336             do j=1,3
 337               cref(j,i,kkk)=c(j,i)
 338             enddo
 339           enddo
 340         endif
 341         call contact(.true.,ncont_ref,icont_ref)
 342       endif
 343       return
 344       end
 345 c-----------------------------------------------------------------------------
 346       logical function seq_comp(itypea,itypeb,length)
 347       implicit none
 348       integer length,itypea(length),itypeb(length)
 349       integer i
 350       do i=1,length
 351         if (itypea(i).ne.itypeb(i)) then
 352           seq_comp=.false.
 353           return
 354         endif
 355       enddo
 356       seq_comp=.true.
 357       return
 358       end
 359 c-----------------------------------------------------------------------------
 360       subroutine read_bridge
 361 C Read information about disulfide bridges.
 362       implicit none
 363       include 'DIMENSIONS'
 364       include 'COMMON.IOUNITS'
 365       include 'COMMON.GEO'
 366       include 'COMMON.VAR'
 367       include 'COMMON.INTERACT'
 368       include 'COMMON.LOCAL'
 369       include 'COMMON.NAMES'
 370       include 'COMMON.CHAIN'
 371       include 'COMMON.FFIELD'
 372       include 'COMMON.SBRIDGE'
 373       include 'COMMON.HEADER'
 374       include 'COMMON.CONTROL'
 375       include 'COMMON.TIME1'
 376 #ifdef MPL
 377       include 'COMMON.INFO'
 378 #endif
 379       integer i,j
 380 C Read bridging residues.
 381       read (inp,*) ns,(iss(i),i=1,ns)
 382       print *,'ns=',ns
 383 C Check whether the specified bridging residues are cystines.
 384       do i=1,ns
 385         if (itype(iss(i)).ne.1) then
 386           write (iout,'(2a,i3,a)')
 387      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 388      &   ' can form a disulfide bridge?!!!'
 389           write (*,'(2a,i3,a)')
 390      &   'Do you REALLY think that the residue ',restyp(iss(i)),i,
 391      &   ' can form a disulfide bridge?!!!'
 392 #ifdef MPL
 393          call mp_stopall(error_msg)
 394 #else
 395          stop
 396 #endif
 397         endif
 398       enddo
 399 C Read preformed bridges.
 400       if (ns.gt.0) then
 401       read (inp,*) nss,(ihpb(i),jhpb(i),i=1,nss)
 402       if (nss.gt.0) then
 403         nhpb=nss
 404 C Check if the residues involved in bridges are in the specified list of
 405 C bridging residues.
 406         do i=1,nss
 407           do j=1,i-1
 408             if (ihpb(i).eq.ihpb(j).or.ihpb(i).eq.jhpb(j)
 409      &      .or.jhpb(i).eq.ihpb(j).or.jhpb(i).eq.jhpb(j)) then
 410               write (iout,'(a,i3,a)') 'Disulfide pair',i,
 411      &      ' contains residues present in other pairs.'
 412               write (*,'(a,i3,a)') 'Disulfide pair',i,
 413      &      ' contains residues present in other pairs.'
 414 #ifdef MPL
 415               call mp_stopall(error_msg)
 416 #else
 417               stop
 418 #endif
 419             endif
 420           enddo
 421           do j=1,ns
 422             if (ihpb(i).eq.iss(j)) goto 10
 423           enddo
 424           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 425    10     continue
 426           do j=1,ns
 427             if (jhpb(i).eq.iss(j)) goto 20
 428           enddo
 429           write (iout,'(a,i3,a)') 'Pair',i,' contains unknown cystine.'
 430    20     continue
 431           dhpb(i)=dbr
 432           forcon(i)=fbr
 433         enddo
 434         do i=1,nss
 435           ihpb(i)=ihpb(i)+nres
 436           jhpb(i)=jhpb(i)+nres
 437         enddo
 438       endif
 439       endif
 440       return
 441       end
 442 c----------------------------------------------------------------------------
 443       subroutine read_angles(kanal,*)
 444       implicit none
 445       include 'DIMENSIONS'
 446       include 'COMMON.GEO'
 447       include 'COMMON.VAR'
 448       include 'COMMON.CHAIN'
 449       include 'COMMON.IOUNITS'
 450       integer i,kanal
 451       read (kanal,*,err=10,end=10) (theta(i),i=3,nres)
 452       read (kanal,*,err=10,end=10) (phi(i),i=4,nres)
 453       read (kanal,*,err=10,end=10) (alph(i),i=2,nres-1)
 454       read (kanal,*,err=10,end=10) (omeg(i),i=2,nres-1)
 455       do i=1,nres
 456         theta(i)=deg2rad*theta(i)
 457         phi(i)=deg2rad*phi(i)
 458         alph(i)=deg2rad*alph(i)
 459         omeg(i)=deg2rad*omeg(i)
 460       enddo
 461       return
 462    10 return1
 463       end
 464 c----------------------------------------------------------------------------
 465       subroutine reada(rekord,lancuch,wartosc,default)
 466       implicit none
 467       character*(*) rekord,lancuch
 468       double precision wartosc,default
 469       integer ilen,iread
 470       external ilen
 471       iread=index(rekord,lancuch)
 472       if (iread.eq.0) then
 473         wartosc=default
 474         return
 475       endif
 476       iread=iread+ilen(lancuch)+1
 477       read (rekord(iread:),*) wartosc
 478       return
 479       end
 480 c----------------------------------------------------------------------------
 481       subroutine multreada(rekord,lancuch,tablica,dim,default)
 482       implicit none
 483       integer dim,i
 484       double precision tablica(dim),default
 485       character*(*) rekord,lancuch
 486       integer ilen,iread
 487       external ilen
 488       do i=1,dim
 489         tablica(i)=default
 490       enddo
 491       iread=index(rekord,lancuch)
 492       if (iread.eq.0) return
 493       iread=iread+ilen(lancuch)+1
 494       read (rekord(iread:),*,end=10,err=10) (tablica(i),i=1,dim)
 495    10 return
 496       end
 497 c----------------------------------------------------------------------------
 498       subroutine readi(rekord,lancuch,wartosc,default)
 499       implicit none
 500       character*(*) rekord,lancuch
 501       integer wartosc,default
 502       integer ilen,iread
 503       external ilen
 504       iread=index(rekord,lancuch)
 505       if (iread.eq.0) then
 506         wartosc=default
 507         return
 508       endif
 509       iread=iread+ilen(lancuch)+1
 510       read (rekord(iread:),*) wartosc
 511       return
 512       end
 513 c----------------------------------------------------------------------------
 514       subroutine card_concat(card)
 515       include 'DIMENSIONS'
 516       include 'COMMON.IOUNITS'
 517       character*(*) card
 518       character*80 karta,ucase
 519       external ilen
 520       read (inp,'(a)') karta
 521       karta=ucase(karta)
 522       card=' '
 523       do while (karta(80:80).eq.'&')
 524         card=card(:ilen(card)+1)//karta(:79)
 525         read (inp,'(a)') karta
 526         karta=ucase(karta)
 527       enddo
 528       card=card(:ilen(card)+1)//karta
 529       return
 530       end
 531 c----------------------------------------------------------------------------
 532       subroutine openunits
 533       implicit none
 534       include 'DIMENSIONS'
 535 #ifdef MPI
 536       include "mpif.h"
 537       character*3 liczba
 538       include "COMMON.MPI"
 539 #endif
 540       include 'COMMON.IOUNITS'
 541       include 'COMMON.CONTROL'
 542       integer lenpre,lenpot,ilen
 543       external ilen
 544       character*16 cformat,cprint
 545       character*16 ucase
 546       integer lenint,lenout
 547       call getenv('INPUT',prefix)
 548       call getenv('OUTPUT',prefout)
 549       call getenv('INTIN',prefintin)
 550       call getenv('COORD',cformat)
 551       call getenv('PRINTCOOR',cprint)
 552       call getenv('SCRATCHDIR',scratchdir)
 553       from_bx=.true.
 554       from_cx=.false.
 555       if (index(ucase(cformat),'CX').gt.0) then
 556         from_cx=.true.
 557         from_bx=.false.
 558       endif
 559       from_cart=.true.
 560       lenpre=ilen(prefix)
 561       lenout=ilen(prefout)
 562       lenint=ilen(prefintin)
 563 C Get the names and open the input files
 564       open (inp,file=prefix(:ilen(prefix))//'.inp',status='old')
 565 #ifdef MPI
 566       write (liczba,'(bz,i3.3)') me
 567       outname=prefout(:lenout)//'_clust.out_'//liczba
 568 #else
 569       outname=prefout(:lenout)//'_clust.out'
 570 #endif
 571       if (from_bx) then
 572         intinname=prefintin(:lenint)//'.bx'
 573       else if (from_cx) then
 574         intinname=prefintin(:lenint)//'.cx'
 575       else
 576         intinname=prefintin(:lenint)//'.int'
 577       endif
 578       rmsname=prefintin(:lenint)//'.rms'
 579       open (jplot,file=prefout(:ilen(prefout))//'.tex',
 580      &       status='unknown')
 581       open (jrms,file=rmsname,status='unknown')
 582       open(iout,file=outname,status='unknown')
 583 C Get parameter filenames and open the parameter files.
 584       call getenv('BONDPAR',bondname)
 585       open (ibond,file=bondname,status='old')
 586       call getenv('THETPAR',thetname)
 587       open (ithep,file=thetname,status='old')
 588       call getenv('ROTPAR',rotname)
 589       open (irotam,file=rotname,status='old')
 590       call getenv('TORPAR',torname)
 591       open (itorp,file=torname,status='old')
 592       call getenv('TORDPAR',tordname)
 593       open (itordp,file=tordname,status='old')
 594       call getenv('FOURIER',fouriername)
 595       open (ifourier,file=fouriername,status='old')
 596       call getenv('ELEPAR',elename)
 597       open (ielep,file=elename,status='old')
 598       call getenv('SIDEPAR',sidename)
 599       open (isidep,file=sidename,status='old')
 600       call getenv('SIDEP',sidepname)
 601       open (isidep1,file=sidepname,status="old")
 602       call getenv('SCCORPAR',sccorname)
 603       open (isccor,file=sccorname,status="old")
 604 #ifndef OLDSCP
 605 C
 606 C 8/9/01 In the newest version SCp interaction constants are read from a file
 607 C Use -DOLDSCP to use hard-coded constants instead.
 608 C
 609       call getenv('SCPPAR',scpname)
 610       open (iscpp,file=scpname,status='old')
 611 #endif
 612       return
 613       end