allocate(mu(2,nres))
allocate(muder(2,nres))
allocate(Ub2(2,nres))
- do i=1,nres
- Ub2(1,i)=0.0d0
- Ub2(2,i)=0.0d0
- enddo
+ Ub2(1,:)=0.0d0
+ Ub2(2,:)=0.0d0
allocate(Ub2der(2,nres))
allocate(Ctobr(2,nres))
allocate(Ctobrder(2,nres))
! allocate(qinfrag(50,nprocs/20),wfrag(50,nprocs/20)) !(50,maxprocs/20)
! allocate(qinpair(100,nprocs/20),wpair(100,nprocs/20)) !(100,maxprocs/20)
allocate(mset(0:nprocs)) !(maxprocs/20)
- do i=0,nprocs
- mset(i)=0
- enddo
+ mset(:)=0
! allocate(ifrag(2,50,nprocs/20)) !(2,50,maxprocs/20)
! allocate(ipair(2,100,nprocs/20)) !(2,100,maxprocs/20)
allocate(dUdconst(3,0:nres))
! and side-chain vectors in theta or phi.
allocate(dyn_ssbond_ij(0:nres+4,0:nres+4))
!(maxres,maxres)
- do i=1,nres
- do j=i+1,nres
- dyn_ssbond_ij(i,j)=1.0d300
- enddo
- enddo
+! do i=1,nres
+! do j=i+1,nres
+ dyn_ssbond_ij(:,:)=1.0d300
+! enddo
+! enddo
if (nss.gt.0) then
allocate(idssb(nss),jdssb(nss))
endif
allocate(dyn_ss_mask(nres))
!(maxres)
- do i=1,nres
- dyn_ss_mask(i)=.false.
- enddo
+ dyn_ss_mask(:)=.false.
!----------------------
! common.sccor
! Parameters of the SCCOR term