C C Parameters of program configurations C implicit none common / numb / m, nt, n, na, tim, irij, atij, atjj, rij common / coord / rx, ry, rz, am, ri, rimin, distij, rx1,ry1,rz1 common / atomic / amass, nat, ano, aicon common / potent / eps, sig, z, ty, dum, tya, mtya common / minim / enrg,rmin1,timin1,tjmin1,rmin2,timin2,tjmin2 common / angle / at1, at2, at3, atf1, atf2, atf3 common / histog / hist, histdst, histang, ndst, nang, histcos common / hbondl / nhbsla, nhbsld, athbsl, athbslh, athbslo common / hbondv / nhbsva, nhbsvd, athbsv, athbsvh, athbsvo common / ahbond / athb, ahba, ahbd, hbflag, svhb common / files / topg98, midg98, topznd, botznd common / rdfs / iindex, histij, histcm common / hbsolv / acroo,acthe,acehb,acroh,nachb real nav, e, pi, bohr, debye parameter (nav= 6.023, e= 18.2257, pi= 3.1415927) parameter (bohr=0.529177249, debye=0.2636 ) integer mnt, mnm, mna, tabe, mhb, mwarn, mntcm parameter (mnt=4, mnm=10005, mna=905, tabe=105, mntcm=mnt+2) integer mbin, nin, men parameter (mbin= 900, nin= 200, men=(mnt*mnt/2)) parameter (mhb= 1000, mwarn= 20) integer umo, uin, uord, udst, uou, uxyz parameter (umo=11, uin=12, uord=13, udst=14, uou=15, uxyz=16) integer uang, udcm, uhb, uordn, udim, ug98 parameter (uang=17, udcm=18, uhb=19, uordn=20, udim=21,ug98=22) integer upp, utt, ucc, ull, upd, uvl parameter (upp= 22, utt= 23, ucc=24, ull=25, upd=26, uvl=27) integer umol, udi, uall, ugpc, uzpc, ugr parameter (umol=28, udi=29,uall=30, ugpc=31, uzpc=32, ugr=33) integer uen, uhbs, usxyz parameter (uen=34, uhbs=35, usxyz=36) integer m,nt,n(mnt), na(mnt), tim(mnm), irij(mnm) integer atij(mnm), atjj(mnm) real rij(mnm) real rx(mnm,mna), ry(mnm,mna), rz(mnm,mna), am(mna,mnt) real ri(mnm), rimin(mnm), amass(tabe), distij(0:mnm,0:mnm) real rx1(mna), ry1(mna), rz1(mna) integer ano(mna,mnt), nat(mna,mnt) character*2 aicon(tabe) real eps(mna,mnt), sig(mna,mnt), z(mna,mnt) integer ty(mnm), dum(mnm), tya(mna,mnt), mtya(mnt) real enrg(mnm,mnm), rmin1(mnm), rmin2(mnm) integer timin1(mnm), tjmin1(mnm), timin2(mnm), tjmin2(mnm) integer at1(mnm), at2(mnm), at3(mnm), atf1, atf2, atf3 integer hist(0:mnm), ndst, nang integer histdst(801), histcos(801), histang(801,3) integer nhbsla, athbsl(mhb), athbslh(mhb), athbslo(mhb) integer nhbsva(mnt), athbsv(mhb,mnt), athbsvh(mhb,mnt) integer athbsvo(mhb,mnt), nhbsld, nhbsvd(mnt) integer athb(mhb), ahba(mhb,mnt), ahbd(mhb,mnt), svhb(mnt) logical hbflag(mnm) integer iindex(mnt,mnt,mna,mna) real*8 histij(nin,mbin), histcm(mntcm,mbin) real*8 acroo(3), acthe(3), acehb(3), acroh(3), nachb(3) character topg98(30)*85, midg98(300)*50 character topznd(30)*85, botznd(30)*85