--- /dev/null
+ subroutine bxread(nazwa,islice,ii,jj,kk,ll,mm,iR,ib,iparm)
+ implicit none
+ include "DIMENSIONS"
+ include "DIMENSIONS.ZSCOPT"
+ include "DIMENSIONS.FREE"
+#ifdef MPI
+ include "mpif.h"
+ integer IERROR,ERRCODE,STATUS(MPI_STATUS_SIZE)
+ include "COMMON.MPI"
+#endif
+ include "COMMON.CHAIN"
+ include "COMMON.IOUNITS"
+ include "COMMON.PROTFILES"
+ include "COMMON.NAMES"
+ include "COMMON.VAR"
+ include "COMMON.GEO"
+ include "COMMON.ENEPS"
+ include "COMMON.PROT"
+ include "COMMON.INTERACT"
+ include "COMMON.FREE"
+ include "COMMON.SBRIDGE"
+ real*4 csingle(3,maxres2)
+ character*64 nazwa,bprotfile_temp
+ character*3 liczba
+ integer i,is,ie,j,ii,jj,k,kk,l,ll,mm,if
+ integer nrec,nlines,iscor,islice
+ double precision energ
+ integer ilen,iroof
+ external ilen,iroof
+ double precision rmsdev,energia(0:max_ene),efree,eini,temp
+ double precision prop(maxQ)
+ integer ntot_all(0:maxprocs-1)
+ integer iparm,ib,iib,ir,nprop,nthr,nrec_slice
+ double precision etot,time
+ logical lerr
+ nrec_slice=(rec_end(iR,ib,iparm)-rec_start(iR,ib,iparm)+1)/nslice
+ is=rec_start(iR,ib,iparm)+(islice-1)*nrec_slice
+ ie=rec_start(iR,ib,iparm)+islice*nrec_slice-1
+ write (iout,*) "bxread: islice",islice," nslice",nslice,
+ & " nrec_slice",nrec_slice
+ write (iout,*) "is",is," ie",ie,"rec_start",
+ & rec_start(iR,ib,iparm)," rec_end",rec_end(iR,ib,iparm)
+ do i=is,ie
+ read(ientin,rec=i+1,err=101)
+ & ((csingle(l,k),l=1,3),k=1,nres),
+ & ((csingle(l,k+nres),l=1,3),k=nnt,nct),
+ & nss,(ihpb(k),jhpb(k),k=1,nss),
+ & eini,efree,rmsdev,(prop(j),j=1,nQ),iscor
+ ii=ii+1
+ kk=kk+1
+ if (mod(kk,isampl(iparm)).eq.0) then
+ jj=jj+1
+ write(ientout,rec=jj)
+ & ((csingle(l,k),l=1,3),k=1,nres),
+ & ((csingle(l,k+nres),l=1,3),k=nnt,nct),
+ & nss,(ihpb(k),jhpb(k),k=1,nss),
+ & eini,efree,rmsdev,(prop(j),j=1,nQ),iR,ib,iparm
+#ifdef DEBUG
+ do i=1,2*nres
+ do j=1,3
+ c(j,i)=csingle(j,i)
+ enddo
+ enddo
+ call int_from_cart1(.false.)
+ write (iout,*) "Writing conformation, record",jj
+ write (iout,*) "Cartesian coordinates"
+ write (iout,'(8f10.5)') ((c(j,i),j=1,3),i=1,nres)
+ write (iout,'(8f10.5)') ((c(j,i+nres),j=1,3),i=nnt,nct)
+ write (iout,*) "Internal coordinates"
+ write (iout,'(8f10.4)') (vbld(k),k=nnt+1,nct)
+ write (iout,'(8f10.4)') (vbld(k),k=nres+nnt,nres+nct)
+ write (iout,'(8f10.4)') (rad2deg*theta(k),k=3,nres)
+ write (iout,'(8f10.4)') (rad2deg*phi(k),k=4,nres)
+ write (iout,'(8f10.4)') (rad2deg*alph(k),k=2,nres-1)
+ write (iout,'(8f10.4)') (rad2deg*omeg(k),k=2,nres-1)
+ write (iout,'(16i5)') nss,(ihpb(k),jhpb(k),k=1,nss)
+ write (iout,'(f10.5,i5)') rmsdev,iscor
+#endif
+ endif
+ enddo
+ 101 continue
+ close(ientin)
+ write (iout,*) ii," conformations read from DA file ",
+ & nazwa(:ilen(nazwa))
+ write (iout,*) kk," conformations read so far, slice",islice
+ write (iout,*) jj," conformations stored so far, slice",islice
+
+ return
+ end