- subroutine store_parm(iparm)
+ subroutine store_parm(iparm)
C
C Store parameters of set IPARM
C valence angles and the side chains and energy parameters.
v2ss_all(iparm)=v2ss
v3ss_all(iparm)=v3ss
c Store SC-backbone correlation parameters
- nterm_sccor_all(iparm)=nterm_sccor
- do i=1,20
- do j=1,20
- do k=1,nterm_sccor
- v1sccor_all(k,i,j,iparm)=v1sccor(k,i,j)
- v2sccor_all(k,i,j,iparm)=v2sccor(k,i,j)
+ do i=1,nsccortyp
+ do j=1,nsccortyp
+
+ nterm_sccor(j,i)=nterm_sccor_all(j,i,iparm)
+c do i=1,20
+c do j=1,20
+ do l=1,3
+ do k=1,nterm_sccor(j,i)
+ v1sccor(k,l,j,i)=v1sccor_all(k,l,j,i,iparm)
+ v2sccor(k,l,j,i)=v2sccor_all(k,l,j,i,iparm)
+ enddo
enddo
enddo
enddo
v2ss=v2ss_all(iparm)
v3ss=v3ss_all(iparm)
c Restore SC-backbone correlation parameters
- nterm_sccor=nterm_sccor_all(iparm)
- do i=1,20
- do j=1,20
- do k=1,nterm_sccor
- v1sccor(k,i,j)=v1sccor_all(k,i,j,iparm)
- v2sccor(k,i,j)=v2sccor_all(k,i,j,iparm)
+ do i=1,nsccortyp
+ do j=1,nsccortyp
+
+ nterm_sccor_all(j,i,iparm)=nterm_sccor(j,i)
+ do l=1,3
+ do k=1,nterm_sccor(j,i)
+ v1sccor_all(k,l,j,i,iparm)=v1sccor(k,l,j,i)
+ v2sccor_all(k,l,j,i,iparm)=v2sccor(k,l,j,i)
+ enddo
enddo
enddo
enddo