include 'COMMON.VAR'
include 'COMMON.GEO'
include 'COMMON.PROT'
- character*64 nazwa,bprotfile_temp
+ character*256 nazwa,bprotfile_temp
real*4 rtime,rpotE,ruconst,rt_bath,rprop(maxQ)
double precision time
integer iret,itmp,itraj,ntraj
if (dyn_ss) then
call xdrfint(ixdrf, idssb(j), iret)
call xdrfint(ixdrf, jdssb(j), iret)
- idssb(j)=idssb(j)-nres
- jdssb(j)=jdssb(j)-nres
else
call xdrfint_(ixdrf, ihpb(j), iret)
call xdrfint_(ixdrf, jhpb(j), iret)
c(j,i+nres+nnt-1)=xoord(j,i+nres)
enddo
enddo
+c write (iout,*) "Before boxshift"
+c call flush(iout)
c Box shift
- call oligomer
+c call oligomer
+c write (iout,*) "After oligomer"
+c call flush(iout)
do i=1,nres
do j=1,3
xoord(j,i)=c(j,i)
enddo
enddo
c end change
-
+c write (iout,*) "Before islice"
+c call flush(iout)
if (islice.gt.0 .and. islice.le.nslice .and. (.not.separate_parset
& .or. iset.eq.myparm)) then
ii=ii+1