include 'DIMENSIONS.FREE'
integer MaxTraj
parameter (MaxTraj=2050)
+ include 'COMMON.CONTROL'
include 'COMMON.CHAIN'
include 'COMMON.INTERACT'
include 'COMMON.NAMES'
call xdrffloat_(ixdrf, rt_bath, iret)
call xdrfint_(ixdrf, nss, iret)
do j=1,nss
- call xdrfint_(ixdrf, ihpb(j), iret)
- call xdrfint_(ixdrf, jhpb(j), iret)
+ 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)
+ endif
enddo
call xdrfint_(ixdrf, nprop, iret)
if (umbrella(iparm) .or. read_iset(iparm) .or. hamil_rep)
call xdrffloat(ixdrf, rt_bath, iret)
call xdrfint(ixdrf, nss, iret)
do j=1,nss
- call xdrfint(ixdrf, ihpb(j), iret)
- call xdrfint(ixdrf, jhpb(j), iret)
+ if (dyn_ss) then
+ call xdrfint(ixdrf, idssb(j), iret)
+ call xdrfint(ixdrf, jdssb(j), iret)
+ else
+ call xdrfint(ixdrf, ihpb(j), iret)
+ call xdrfint(ixdrf, jhpb(j), iret)
+ endif
enddo
call xdrfint(ixdrf, nprop, iret)
c write (iout,*) "nprop",nprop
enddo
enddo
+c Box shift
+ call oligomer
+ do i=1,nres
+ do j=1,3
+ xoord(j,i)=c(j,i)
+ enddo
+ enddo
+ do i=1,nct-nnt+1
+ do j=1,3
+ xoord(j,i+nres)=c(j,i+nres+nnt-1)
+ enddo
+ enddo
+c end change
+
if (islice.gt.0 .and. islice.le.nslice .and. (.not.separate_parset
& .or. iset.eq.myparm)) then
ii=ii+1