call xdrfint_(ixdrf, nss, iret)
if (iret.eq.0) goto 101
do j=1,nss
+ 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)
if (iret.eq.0) goto 101
call xdrfint_(ixdrf, jhpb(j), iret)
if (iret.eq.0) goto 101
+ endif
enddo
call xdrffloat_(ixdrf,reini,iret)
if (iret.eq.0) goto 101
call flush(iout)
if (iret.eq.0) goto 101
do k=1,nss
+ if (dyn_ss) then
+ call xdrfint(ixdrf, idssb(k), iret)
+ call xdrfint(ixdrf, jdssb(k), iret)
+ else
call xdrfint(ixdrf, ihpb(k), iret)
if (iret.eq.0) goto 101
call xdrfint(ixdrf, jhpb(k), iret)
if (iret.eq.0) goto 101
+ endif
enddo
call xdrffloat(ixdrf,reini,iret)
if (iret.eq.0) goto 101
enddo
do j=nnt,nct
itj=itype(j)
- if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(itj)).gt.2.0d0) then
+ if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0)
+ & then
write (iout,*) "Conformation",jjj,jj+1
write (iout,*) "Bad CA-SC bond length",j," ",vbld(nres+j)
write (iout,*) "The Cartesian geometry is:"