source/wham/src-M-SAXS-homology/store_parm.F

   1               subroutine store_parm(iparm)
   2 C
   3 C Store parameters of set IPARM
   4 C valence angles and the side chains and energy parameters.
   5 C
   6       implicit none
   7       include 'DIMENSIONS'
   8       include 'DIMENSIONS.ZSCOPT'
   9       include 'DIMENSIONS.FREE'
  10       include 'COMMON.IOUNITS'
  11       include 'COMMON.CHAIN'
  12       include 'COMMON.INTERACT'
  13       include 'COMMON.GEO'
  14       include 'COMMON.LOCAL'
  15       include 'COMMON.TORSION'
  16       include 'COMMON.FFIELD'
  17       include 'COMMON.NAMES'
  18       include 'COMMON.SBRIDGE'
  19       include 'COMMON.SCROT'
  20       include 'COMMON.SCCOR'
  21       include 'COMMON.ALLPARM'
  22       integer i,ii,j,k,l,m,mm,iparm,ichir1,ichir2,iblock,iii
  23
  24 c Store weights
  25       ww_all(1,iparm)=wsc
  26       ww_all(2,iparm)=wscp
  27       ww_all(3,iparm)=welec
  28       ww_all(4,iparm)=wcorr
  29       ww_all(5,iparm)=wcorr5
  30       ww_all(6,iparm)=wcorr6
  31       ww_all(7,iparm)=wel_loc
  32       ww_all(8,iparm)=wturn3
  33       ww_all(9,iparm)=wturn4
  34       ww_all(10,iparm)=wturn6
  35       ww_all(11,iparm)=wang
  36       ww_all(12,iparm)=wscloc
  37       ww_all(13,iparm)=wtor
  38       ww_all(14,iparm)=wtor_d
  39       ww_all(15,iparm)=wstrain
  40       ww_all(16,iparm)=wvdwpp
  41       ww_all(17,iparm)=wbond
  42       ww_all(19,iparm)=wsccor
  43       ww_all(22,iparm)=wliptran
  44       ww_all(26,iparm)=wsaxs
  45 c Store bond parameters
  46       vbldp0_all(iparm)=vbldp0
  47       akp_all(iparm)=akp
  48       do i=1,ntyp
  49         nbondterm_all(i,iparm)=nbondterm(i)
  50         do j=1,nbondterm(i)
  51           vbldsc0_all(j,i,iparm)=vbldsc0(j,i)
  52           aksc_all(j,i,iparm)=aksc(j,i)
  53           abond0_all(j,i,iparm)=abond0(j,i)
  54         enddo
  55       enddo
  56 c Store bond angle parameters
  57 #ifdef CRYST_THETA
  58       do i=-ntyp,ntyp
  59         a0thet_all(i,iparm)=a0thet(i)
  60         do ichir1=-1,1
  61         do ichir2=-1,1
  62         do j=1,2
  63           athet_all(j,i,ichir1,ichir2,iparm)=athet(j,i,ichir1,ichir2)
  64           bthet_all(j,i,ichir1,ichir2,iparm)=bthet(j,i,ichir1,ichir2)
  65         enddo
  66         enddo
  67         enddo
  68         do j=0,3
  69           polthet_all(j,i,iparm)=polthet(j,i)
  70         enddo
  71         do j=1,3
  72           gthet_all(j,i,iparm)=gthet(j,i)
  73         enddo
  74         theta0_all(i,iparm)=theta0(i)
  75         sig0_all(i,iparm)=sig0(i)
  76         sigc0_all(i,iparm)=sigc0(i)
  77       enddo
  78 #else
  79       nthetyp_all(iparm)=nthetyp
  80       ntheterm_all(iparm)=ntheterm
  81       ntheterm2_all(iparm)=ntheterm2
  82       ntheterm3_all(iparm)=ntheterm3
  83       nsingle_all(iparm)=nsingle
  84       ndouble_all(iparm)=ndouble
  85       nntheterm_all(iparm)=nntheterm
  86       do i=-ntyp,ntyp
  87         ithetyp_all(i,iparm)=ithetyp(i)
  88       enddo
  89       do iblock=1,2
  90       do i=-maxthetyp1,maxthetyp1
  91         do j=-maxthetyp1,maxthetyp1
  92           do k=-maxthetyp1,maxthetyp1
  93             aa0thet_all(i,j,k,iblock,iparm)=aa0thet(i,j,k,iblock)
  94             do l=1,ntheterm
  95               aathet_all(l,i,j,k,iblock,iparm)=aathet(l,i,j,k,iblock)
  96             enddo
  97             do l=1,ntheterm2
  98               do m=1,nsingle
  99                 bbthet_all(m,l,i,j,k,iblock,iparm)=
 100      & bbthet(m,l,i,j,k,iblock)
 101                 ccthet_all(m,l,i,j,k,iblock,iparm)=
 102      &ccthet(m,l,i,j,k,iblock)
 103                 ddthet_all(m,l,i,j,k,iblock,iparm)=
 104      &ddthet(m,l,i,j,k,iblock)
 105                 eethet_all(m,l,i,j,k,iblock,iparm)=
 106      &eethet(m,l,i,j,k,iblock)
 107               enddo
 108             enddo
 109             do l=1,ntheterm3
 110               do m=1,ndouble
 111                 do mm=1,ndouble
 112                 if (iblock.eq.1) then
 113                  ffthet_all1(mm,m,l,i,j,k,iparm)=
 114      &   ffthet(mm,m,l,i,j,k,iblock)
 115                  ggthet_all1(mm,m,l,i,j,k,iparm)=
 116      &ggthet(mm,m,l,i,j,k,iblock)
 117                   else
 118                  ffthet_all2(mm,m,l,i,j,k,iparm)=
 119      &   ffthet(mm,m,l,i,j,k,iblock)
 120                  ggthet_all2(mm,m,l,i,j,k,iparm)=
 121      &ggthet(mm,m,l,i,j,k,iblock)
 122                   endif
 123                 enddo
 124               enddo
 125             enddo
 126           enddo
 127         enddo
 128       enddo
 129       enddo
 130 #endif
 131 #ifdef CRYST_SC
 132 c Store the sidechain rotamer parameters
 133       do i=-ntyp,ntyp
 134        iii=iabs(i)
 135 cc       write (iout,*) i,"storeparm1"
 136        if (i.eq.0) cycle
 137         nlob_all(iii,iparm)=nlob(iii)
 138         do j=1,nlob(iii)
 139           bsc_all(j,iii,iparm)=bsc(j,iii)
 140           do k=1,3
 141             censc_all(k,j,i,iparm)=censc(k,j,i)
 142           enddo
 143           do k=1,3
 144             do l=1,3
 145               gaussc_all(l,k,j,i,iparm)=gaussc(l,k,j,i)
 146             enddo
 147           enddo
 148         enddo
 149       enddo
 150 #else
 151       do i=1,ntyp
 152         do j=1,65
 153           sc_parmin_all(j,i,iparm)=sc_parmin(j,i)
 154         enddo
 155       enddo
 156 #endif
 157 c Store the torsional parameters
 158       do iblock=1,2
 159       do i=-ntortyp+1,ntortyp-1
 160         do j=-ntortyp+1,ntortyp-1
 161           v0_all(i,j,iblock,iparm)=v0(i,j,iblock)
 162           nterm_all(i,j,iblock,iparm)=nterm(i,j,iblock)
 163           nlor_all(i,j,iblock,iparm)=nlor(i,j,iblock)
 164           do k=1,nterm(i,j,iblock)
 165             v1_all(k,i,j,iblock,iparm)=v1(k,i,j,iblock)
 166             v2_all(k,i,j,iblock,iparm)=v2(k,i,j,iblock)
 167           enddo
 168           do k=1,nlor(i,j,iblock)
 169             vlor1_all(k,i,j,iparm)=vlor1(k,i,j)
 170             vlor2_all(k,i,j,iparm)=vlor2(k,i,j)
 171             vlor3_all(k,i,j,iparm)=vlor3(k,i,j)
 172           enddo
 173         enddo
 174       enddo
 175       enddo
 176 c Store the double torsional parameters
 177       do iblock=1,2
 178       do i=-ntortyp+1,ntortyp-1
 179         do j=-ntortyp+1,ntortyp-1
 180           do k=-ntortyp+1,ntortyp-1
 181             ntermd1_all(i,j,k,iblock,iparm)=ntermd_1(i,j,k,iblock)
 182             ntermd2_all(i,j,k,iblock,iparm)=ntermd_2(i,j,k,iblock)
 183             do l=1,ntermd_1(i,j,k,iblock)
 184               v1c_all(1,l,i,j,k,iblock,iparm)=v1c(1,l,i,j,k,iblock)
 185               v1c_all(2,l,i,j,k,iblock,iparm)=v1c(2,l,i,j,k,iblock)
 186               v2c_all(1,l,i,j,k,iblock,iparm)=v2c(1,l,i,j,k,iblock)
 187               v2c_all(2,l,i,j,k,iblock,iparm)=v2c(2,l,i,j,k,iblock)
 188             enddo
 189             do l=1,ntermd_2(i,j,k,iblock)
 190               do m=1,ntermd_2(i,j,k,iblock)
 191                 v2s_all(l,m,i,j,k,iblock,iparm)=v2s(l,m,i,j,k,iblock)
 192               enddo
 193             enddo
 194           enddo
 195         enddo
 196       enddo
 197       enddo
 198 c Store parameters of the cumulants
 199 #ifdef NEWCORR
 200       do i=-nloctyp+1,nloctyp-1
 201         do ii=1,3
 202         do j=1,2
 203           bnew1_all(ii,j,i,iparm)=bnew1(ii,j,i)
 204           bnew2_all(ii,j,i,iparm)=bnew2(ii,j,i)
 205         enddo
 206         enddo
 207         do j=1,2
 208           do k=1,3
 209             ccnew_all(k,j,i,iparm)=ccnew(k,j,i)
 210             ddnew_all(k,j,i,iparm)=ddnew(k,j,i)
 211           enddo
 212         enddo
 213         do ii=1,2
 214           do j=1,2
 215             do k=1,2
 216               eenew_all(k,j,ii,i,iparm)=eenew(k,j,ii,i)
 217             enddo
 218           enddo
 219         enddo
 220         do ii=1,2
 221           e0new_all(ii,i,iparm)=e0new(ii,i)
 222         enddo
 223       enddo
 224 #else
 225       do i=-nloctyp,nloctyp
 226         do j=1,5
 227           b_all(j,i,iparm)=b(j,i)
 228         enddo
 229         do j=1,2
 230           do k=1,2
 231             ccold_all(k,j,i,iparm)=ccold(k,j,i)
 232             ddold_all(k,j,i,iparm)=ddold(k,j,i)
 233             eeold_all(k,j,i,iparm)=eeold(k,j,i)
 234           enddo
 235         enddo
 236       enddo
 237 #endif
 238 c Store the parameters of electrostatic interactions
 239       do i=1,2
 240         do j=1,2
 241           app_all(j,i,iparm)=app(j,i)
 242           bpp_all(j,i,iparm)=bpp(j,i)
 243           ael6_all(j,i,iparm)=ael6(j,i)
 244           ael3_all(j,i,iparm)=ael3(j,i)
 245         enddo
 246       enddo
 247 c Store sidechain parameters
 248       do i=1,ntyp
 249         do j=1,ntyp
 250           aa_aq_all(j,i,iparm)=aa_aq(j,i)
 251           bb_aq_all(j,i,iparm)=bb_aq(j,i)
 252           aa_lip_all(j,i,iparm)=aa_lip(j,i)
 253           bb_lip_all(j,i,iparm)=bb_lip(j,i)
 254           r0_all(j,i,iparm)=r0(j,i)
 255           sigma_all(j,i,iparm)=sigma(j,i)
 256           chi_all(j,i,iparm)=chi(j,i)
 257           augm_all(j,i,iparm)=augm(j,i)
 258           eps_all(j,i,iparm)=eps(j,i)
 259           epslip_all(j,i,iparm)=epslip(j,i)
 260         enddo
 261       enddo
 262       do i=1,ntyp
 263         chip_all(i,iparm)=chip(i)
 264         alp_all(i,iparm)=alp(i)
 265       enddo
 266 c Store the SCp parameters
 267       do i=1,ntyp
 268         do j=1,2
 269           aad_all(i,j,iparm)=aad(i,j)
 270           bad_all(i,j,iparm)=bad(i,j)
 271         enddo
 272       enddo
 273 c Store disulfide-bond parameters
 274       ebr_all(iparm)=ebr
 275       d0cm_all(iparm)=d0cm
 276       akcm_all(iparm)=akcm
 277       akth_all(iparm)=akth
 278       akct_all(iparm)=akct
 279       v1ss_all(iparm)=v1ss
 280       v2ss_all(iparm)=v2ss
 281       v3ss_all(iparm)=v3ss
 282 c Store SC-backbone correlation parameters
 283       do i=-nsccortyp,nsccortyp
 284        do j=-nsccortyp,nsccortyp
 285
 286       nterm_sccor_all(j,i,iparm)=nterm_sccor(j,i)
 287 c      do i=1,20
 288 c        do j=1,20
 289          do l=1,3
 290           do k=1,nterm_sccor(j,i)
 291             v1sccor_all(k,l,j,i,iparm)=v1sccor(k,l,j,i)
 292             v2sccor_all(k,l,j,i,iparm)=v2sccor(k,l,j,i)
 293            enddo
 294           enddo
 295         enddo
 296       enddo
 297       return
 298       end
 299 c--------------------------------------------------------------------------
 300       subroutine restore_parm(iparm)
 301 C
 302 C Store parameters of set IPARM
 303 C valence angles and the side chains and energy parameters.
 304 C
 305       implicit none
 306       include 'DIMENSIONS'
 307       include 'DIMENSIONS.ZSCOPT'
 308       include 'DIMENSIONS.FREE'
 309       include 'COMMON.IOUNITS'
 310       include 'COMMON.CHAIN'
 311       include 'COMMON.INTERACT'
 312       include 'COMMON.GEO'
 313       include 'COMMON.LOCAL'
 314       include 'COMMON.TORSION'
 315       include 'COMMON.FFIELD'
 316       include 'COMMON.NAMES'
 317       include 'COMMON.SBRIDGE'
 318       include 'COMMON.SCROT'
 319       include 'COMMON.SCCOR'
 320       include 'COMMON.ALLPARM'
 321       integer i,ii,j,k,l,m,mm,iparm,ichir1,ichir2,iblock,iii
 322
 323 c Restore weights
 324       wsc=ww_all(1,iparm)
 325       wscp=ww_all(2,iparm)
 326       welec=ww_all(3,iparm)
 327       wcorr=ww_all(4,iparm)
 328       wcorr5=ww_all(5,iparm)
 329       wcorr6=ww_all(6,iparm)
 330       wel_loc=ww_all(7,iparm)
 331       wturn3=ww_all(8,iparm)
 332       wturn4=ww_all(9,iparm)
 333       wturn6=ww_all(10,iparm)
 334       wang=ww_all(11,iparm)
 335       wscloc=ww_all(12,iparm)
 336       wtor=ww_all(13,iparm)
 337       wtor_d=ww_all(14,iparm)
 338       wstrain=ww_all(15,iparm)
 339       wvdwpp=ww_all(16,iparm)
 340       wbond=ww_all(17,iparm)
 341       wsccor=ww_all(19,iparm)
 342       wliptran=ww_all(22,iparm)
 343       wsaxs=ww_all(26,iparm)
 344 c Restore bond parameters
 345       vbldp0=vbldp0_all(iparm)
 346       akp=akp_all(iparm)
 347       do i=1,ntyp
 348         nbondterm(i)=nbondterm_all(i,iparm)
 349         do j=1,nbondterm(i)
 350           vbldsc0(j,i)=vbldsc0_all(j,i,iparm)
 351           aksc(j,i)=aksc_all(j,i,iparm)
 352           abond0(j,i)=abond0_all(j,i,iparm)
 353         enddo
 354       enddo
 355 c Restore bond angle parameters
 356 #ifdef CRYST_THETA
 357       do i=-ntyp,ntyp
 358         a0thet(i)=a0thet_all(i,iparm)
 359         do ichir1=-1,1
 360         do ichir2=-1,1
 361         do j=1,2
 362           athet(j,i,ichir1,ichir2)=athet_all(j,i,ichir1,ichir2,iparm)
 363           bthet(j,i,ichir1,ichir2)=bthet_all(j,i,ichir1,ichir2,iparm)
 364         enddo
 365         enddo
 366         enddo
 367         do j=0,3
 368           polthet(j,i)=polthet_all(j,i,iparm)
 369         enddo
 370         do j=1,3
 371           gthet(j,i)=gthet_all(j,i,iparm)
 372         enddo
 373         theta0(i)=theta0_all(i,iparm)
 374         sig0(i)=sig0_all(i,iparm)
 375         sigc0(i)=sigc0_all(i,iparm)
 376       enddo
 377 #else
 378       nthetyp=nthetyp_all(iparm)
 379       ntheterm=ntheterm_all(iparm)
 380       ntheterm2=ntheterm2_all(iparm)
 381       ntheterm3=ntheterm3_all(iparm)
 382       nsingle=nsingle_all(iparm)
 383       ndouble=ndouble_all(iparm)
 384       nntheterm=nntheterm_all(iparm)
 385       do i=-ntyp,ntyp
 386         ithetyp(i)=ithetyp_all(i,iparm)
 387       enddo
 388       do iblock=1,2
 389       do i=-maxthetyp1,maxthetyp1
 390         do j=-maxthetyp1,maxthetyp1
 391           do k=-maxthetyp1,maxthetyp1
 392             aa0thet(i,j,k,iblock)=aa0thet_all(i,j,k,iblock,iparm)
 393             do l=1,ntheterm
 394               aathet(l,i,j,k,iblock)=aathet_all(l,i,j,k,iblock,iparm)
 395             enddo
 396             do l=1,ntheterm2
 397               do m=1,nsingle
 398                 bbthet(m,l,i,j,k,iblock)=
 399      &bbthet_all(m,l,i,j,k,iblock,iparm)
 400                 ccthet(m,l,i,j,k,iblock)=
 401      &ccthet_all(m,l,i,j,k,iblock,iparm)
 402                 ddthet(m,l,i,j,k,iblock)=
 403      &ddthet_all(m,l,i,j,k,iblock,iparm)
 404                 eethet(m,l,i,j,k,iblock)=
 405      &eethet_all(m,l,i,j,k,iblock,iparm)
 406               enddo
 407             enddo
 408             do l=1,ntheterm3
 409               do m=1,ndouble
 410                 do mm=1,ndouble
 411                 if (iblock.eq.1) then
 412                  ffthet(mm,m,l,i,j,k,iblock)=
 413      &ffthet_all1(mm,m,l,i,j,k,iparm)
 414                  ggthet(mm,m,l,i,j,k,iblock)=
 415      &ggthet_all1(mm,m,l,i,j,k,iparm)
 416                 else
 417                  ffthet(mm,m,l,i,j,k,iblock)=
 418      &ffthet_all2(mm,m,l,i,j,k,iparm)
 419                  ggthet(mm,m,l,i,j,k,iblock)=
 420      &ggthet_all2(mm,m,l,i,j,k,iparm)
 421                 endif
 422                 enddo
 423               enddo
 424             enddo
 425           enddo
 426         enddo
 427       enddo
 428       enddo
 429 #endif
 430 c Restore the sidechain rotamer parameters
 431 #ifdef CRYST_SC
 432       do i=-ntyp,ntyp
 433         if (i.eq.0) cycle
 434         iii=iabs(i)
 435         nlob(iii)=nlob_all(iii,iparm)
 436         do j=1,nlob(iii)
 437           bsc(j,iii)=bsc_all(j,iii,iparm)
 438           do k=1,3
 439             censc(k,j,i)=censc_all(k,j,i,iparm)
 440           enddo
 441           do k=1,3
 442             do l=1,3
 443               gaussc(l,k,j,i)=gaussc_all(l,k,j,i,iparm)
 444             enddo
 445           enddo
 446         enddo
 447       enddo
 448 #else
 449       do i=1,ntyp
 450         do j=1,65
 451           sc_parmin(j,i)=sc_parmin_all(j,i,iparm)
 452         enddo
 453       enddo
 454 #endif
 455 c Restore the torsional parameters
 456       do iblock=1,2
 457       do i=-ntortyp+1,ntortyp-1
 458         do j=-ntortyp+1,ntortyp-1
 459           v0(i,j,iblock)=v0_all(i,j,iblock,iparm)
 460           nterm(i,j,iblock)=nterm_all(i,j,iblock,iparm)
 461           nlor(i,j,iblock)=nlor_all(i,j,iblock,iparm)
 462           do k=1,nterm(i,j,iblock)
 463             v1(k,i,j,iblock)=v1_all(k,i,j,iblock,iparm)
 464             v2(k,i,j,iblock)=v2_all(k,i,j,iblock,iparm)
 465           enddo
 466           do k=1,nlor(i,j,iblock)
 467             vlor1(k,i,j)=vlor1_all(k,i,j,iparm)
 468             vlor2(k,i,j)=vlor2_all(k,i,j,iparm)
 469             vlor3(k,i,j)=vlor3_all(k,i,j,iparm)
 470           enddo
 471         enddo
 472       enddo
 473       enddo
 474 c Restore the double torsional parameters
 475       do iblock=1,2
 476       do i=-ntortyp+1,ntortyp-1
 477         do j=-ntortyp+1,ntortyp-1
 478           do k=-ntortyp+1,ntortyp-1
 479             ntermd_1(i,j,k,iblock)=ntermd1_all(i,j,k,iblock,iparm)
 480             ntermd_2(i,j,k,iblock)=ntermd2_all(i,j,k,iblock,iparm)
 481             do l=1,ntermd_1(i,j,k,iblock)
 482               v1c(1,l,i,j,k,iblock)=v1c_all(1,l,i,j,k,iblock,iparm)
 483               v1c(2,l,i,j,k,iblock)=v1c_all(2,l,i,j,k,iblock,iparm)
 484               v2c(1,l,i,j,k,iblock)=v2c_all(1,l,i,j,k,iblock,iparm)
 485               v2c(2,l,i,j,k,iblock)=v2c_all(2,l,i,j,k,iblock,iparm)
 486             enddo
 487             do l=1,ntermd_2(i,j,k,iblock)
 488               do m=1,ntermd_2(i,j,k,iblock)
 489                 v2s(l,m,i,j,k,iblock)=v2s_all(l,m,i,j,k,iblock,iparm)
 490               enddo
 491             enddo
 492           enddo
 493         enddo
 494       enddo
 495       enddo
 496 c Restore parameters of the cumulants
 497 #ifdef NEWCORR
 498       do i=-nloctyp+1,nloctyp-1
 499         do ii=1,3
 500         do j=1,2
 501           bnew1(ii,j,i)=bnew1_all(ii,j,i,iparm)
 502           bnew2(ii,j,i)=bnew2_all(ii,j,i,iparm)
 503         enddo
 504         enddo
 505         do j=1,2
 506           do k=1,3
 507             ccnew(k,j,i)=ccnew_all(k,j,i,iparm)
 508             ddnew(k,j,i)=ddnew_all(k,j,i,iparm)
 509           enddo
 510         enddo
 511         do ii=1,2
 512           do j=1,2
 513             do k=1,2
 514               eenew(k,j,ii,i)=eenew_all(k,j,ii,i,iparm)
 515             enddo
 516           enddo
 517         enddo
 518         do ii=1,2
 519           e0new(ii,i)=e0new_all(ii,i,iparm)
 520         enddo
 521       enddo
 522 #else
 523       do i=-nloctyp,nloctyp
 524         do j=1,5
 525           b(j,i)=b_all(j,i,iparm)
 526         enddo
 527         do j=1,2
 528           do k=1,2
 529             ccold(k,j,i)=ccold_all(k,j,i,iparm)
 530             ddold(k,j,i)=ddold_all(k,j,i,iparm)
 531             eeold(k,j,i)=eeold_all(k,j,i,iparm)
 532           enddo
 533         enddo
 534       enddo
 535 #endif
 536 c Restore the parameters of electrostatic interactions
 537       do i=1,2
 538         do j=1,2
 539           app(j,i)=app_all(j,i,iparm)
 540           bpp(j,i)=bpp_all(j,i,iparm)
 541           ael6(j,i)=ael6_all(j,i,iparm)
 542           ael3(j,i)=ael3_all(j,i,iparm)
 543         enddo
 544       enddo
 545 c Restore sidechain parameters
 546       do i=1,ntyp
 547         do j=1,ntyp
 548           aa_aq(j,i)=aa_aq_all(j,i,iparm)
 549           bb_aq(j,i)=bb_aq_all(j,i,iparm)
 550           aa_lip(j,i)=aa_lip_all(j,i,iparm)
 551           bb_lip(j,i)=bb_lip_all(j,i,iparm)
 552           r0(j,i)=r0_all(j,i,iparm)
 553           sigma(j,i)=sigma_all(j,i,iparm)
 554           chi(j,i)=chi_all(j,i,iparm)
 555           augm(j,i)=augm_all(j,i,iparm)
 556           eps(j,i)=eps_all(j,i,iparm)
 557           epslip(j,i)=epslip_all(j,i,iparm)
 558         enddo
 559       enddo
 560       do i=1,ntyp
 561         chip(i)=chip_all(i,iparm)
 562         alp(i)=alp_all(i,iparm)
 563       enddo
 564 c Restore the SCp parameters
 565       do i=1,ntyp
 566         do j=1,2
 567           aad(i,j)=aad_all(i,j,iparm)
 568           bad(i,j)=bad_all(i,j,iparm)
 569         enddo
 570       enddo
 571 c Restore disulfide-bond parameters
 572       ebr=ebr_all(iparm)
 573       d0cm=d0cm_all(iparm)
 574       akcm=akcm_all(iparm)
 575       akth=akth_all(iparm)
 576       akct=akct_all(iparm)
 577       v1ss=v1ss_all(iparm)
 578       v2ss=v2ss_all(iparm)
 579       v3ss=v3ss_all(iparm)
 580 c Restore SC-backbone correlation parameters
 581       do i=-nsccortyp,nsccortyp
 582        do j=-nsccortyp,nsccortyp
 583
 584       nterm_sccor(j,i)=nterm_sccor_all(j,i,iparm)
 585         do l=1,3
 586            do k=1,nterm_sccor(j,i)
 587             v1sccor(k,l,j,i)=v1sccor_all(k,l,j,i,iparm)
 588             v2sccor(k,l,j,i)=v2sccor_all(k,l,j,i,iparm)
 589            enddo
 590           enddo
 591         enddo
 592       enddo
 593       return
 594       end