integer maxid,maxtyp,maxlev parameter (maxid=1000,maxtyp=1000,maxlev=10) c logical rprmok,wprmok,rcrdok,wcrdok,rcvdok,rcvbok,rcbdok,wnmrok logical save,match,match2,inlist,lespert,pimd,atm1st c itimass = flag for TI_MASS section in the topology file logical find,allmas,bigmas,lreal(maxnatom), . treal(maxnatom),itimass integer dscale,ascale,bscale, npack logical nomodv c character name*10,title*80,crdline*80 c real*8 fac,lesfac(maxtyp*maxtyp), newm real*8 x(maxnatom),y(maxnatom),z(maxnatom) real*8 tx(maxnatom),ty(maxnatom),tz(maxnatom),omass(maxnatom) real*8 vx(maxnatom),vy(maxnatom),vz(maxnatom),crdbox(3) real*8 tvx(maxnatom),tvy(maxnatom),tvz(maxnatom) real*8 box1,box2,getd,ochrg(maxnatom),ocgper(maxnatom) c integer stdi,stderr,urprm,uwprm,urcrd,uwcrd,uw2prm,uw3prm,uwnmr integer i,j,k,idx,nlestyp,numlev(maxtyp),lestyp(maxnatom) integer lesid(maxnatom,maxlev),typid(maxtyp,maxlev) integer nlev(maxnatom),curlesid,ncopies(maxid),numcop integer bfach(maxbnd),bfac(maxbnd),afach(maxang),afac(maxang) integer bfacp(maxbnd),afacp(maxang),tbfacp(maxbnd),tafacp(maxang) integer tfacp(maxdih),ttfacp(maxdih),iacpfac(maxnatom) integer tiacpfac(maxnatom),imass(maxnatom),ipert(maxnatom) integer tfach(maxdih),tfac(maxdih),ncop integer tbon1(maxbndt),tbon2(maxbndt),tang1(maxangt), . tang2(maxangt) integer tphi1(maxdiht),tphi2(maxdiht),nrem(maxnatom) integer revpoint(maxnatom),ipick(maxnatom),poiatom(maxnatom) integer tlesid(maxnatom,maxlev),tnlev(maxnatom),iacfac(maxnatom) integer tbfach(maxbnd),tbfac(maxbnd),tafach(maxang),tafac(maxang) integer ttfach(maxdih),ttfac(maxdih),newiac(maxnatom) integer tiacfac(maxnatom),nexcl,tnexcl,newiacfac(maxnatom) integer j1,k2,i2,i3,k5,i4,namel,npick,realtors,scaltyp integer geti,of,origpt(maxnatom),torigpt(maxnatom) integer totcop(maxnatom),numbb,numba,numbd,dumdih,dumiac c common /misc1i/ stdi,stderr,iacfac,tiacfac,origpt,torigpt common /misc2i/ lesid,nlev,bfach,bfac,afach,afac,tfach,tfac common /misc3i/ nlestyp,lestyp,ncopies,totcop,numcop,nrem common /misc4i/ bfacp,tbfacp,afacp,tafacp,tfacp,ttfacp,iacpfac common /misc5i/ tiacpfac,numbb,numba,numbd,dumdih,dumiac common /misc6i/ newiac,newiacfac,imass,realtors,scaltyp,ipert common /misc7i/ dscale,ascale,bscale,atm1st c common /misc1r/ x,y,z,vx,vy,vz,lesfac,ochrg,ocgper,omass,crdbox common /misc2r/ box1,box2,newm c common /misc1l/ rcrdok,allmas,bigmas,lespert,lreal,treal,itimass common /misc2l/ rcvdok,rcvbok, rcbdok, nomodv c common /misc1c/ crdline, pimd, npack