e2(3)=0.0d0
endif !fail
do j=1,3
- c(j,i)=c(j,i-1)-1.9d0*e2(j)
+ c(j,i)=c(j,i-1)+1.9d0*(-e1(j)+e2(j))/sqrt(2.0d0)
enddo
else !unres_pdb
do j=1,3
e2(3)=0.0d0
endif
do j=1,3
- c(j,nres)=c(j,nres-1)-1.9d0*e2(j)
+ c(j,nres)=c(j,nres-1)+1.9d0*(-e1(j)+e2(j))/sqrt(2.0d0)
enddo
else
do j=1,3
e2(3)=0.0d0
endif
do j=1,3
- c(j,1)=c(j,2)-1.9d0*e2(j)
+ c(j,1)=c(j,2)+1.9d0*(e1(j)-e2(j))/dsqrt(2.0d0)
enddo
else
do j=1,3