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