nbi=nbondterm(iti)
if (nbi.eq.1) then
diff=vbld(i+nres)-vbldsc0(1,iti)
-c write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
-c & AKSC(1,iti),AKSC(1,iti)*diff*diff
+ write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
+ & AKSC(1,iti),AKSC(1,iti)*diff*diff
estr=estr+0.5d0*AKSC(1,iti)*diff*diff
do j=1,3
gradbx(j,i)=AKSC(1,iti)*diff*dc(j,i+nres)/vbld(i+nres)
usum=usum+uprod1
usumsqder=usumsqder+ud(j)*uprod2
enddo
-c write (iout,*) i,iti,vbld(i+nres),(vbldsc0(j,iti),
-c & AKSC(j,iti),abond0(j,iti),u(j),j=1,nbi)
+ write (iout,*) i,iti,vbld(i+nres),(vbldsc0(j,iti),
+ & AKSC(j,iti),abond0(j,iti),u(j),j=1,nbi)
estr=estr+uprod/usum
do j=1,3
gradbx(j,i)=usumsqder/(usum*usum)*dc(j,i+nres)/vbld(i+nres)
itori=itortyp(itype(i-2))
itori1=itortyp(itype(i-1))
itori2=itortyp(itype(i))
-c iblock=1
-c if (iabs(itype(i+1)).eq.20) iblock=2
phii=phi(i)
phii1=phi(i+1)
gloci1=0.0D0
gloci2=0.0D0
C Regular cosine and sine terms
-c c do j=1,ntermd_1(itori,itori1,itori2,iblock)
-c v1cij=v1c(1,j,itori,itori1,itori2,iblock)
-c v1sij=v1s(1,j,itori,itori1,itori2,iblock)
-c v2cij=v1c(2,j,itori,itori1,itori2,iblock)
-c v2sij=v1s(2,j,itori,itori1,itori2,iblock)
- do j=1,ntermd_1(itori,itori1,itori2)
+ do j=1,ntermd_1(itori,itori1,itori2)
v1cij=v1c(1,j,itori,itori1,itori2)
v1sij=v1s(1,j,itori,itori1,itori2)
v2cij=v1c(2,j,itori,itori1,itori2)
v2sij=v1s(2,j,itori,itori1,itori2)
-
cosphi1=dcos(j*phii)
sinphi1=dsin(j*phii)
cosphi2=dcos(j*phii1)
gloci2=gloci2+j*(v2sij*cosphi2-v2cij*sinphi2)
enddo
do k=2,ntermd_2(itori,itori1,itori2)
-c do k=2,ntermd_2(itori,itori1,itori2,iblock)
do l=1,k-1
-c v1cdij = v2c(k,l,itori,itori1,itori2,iblock)
-c v2cdij = v2c(l,k,itori,itori1,itori2,iblock)
-c v1sdij = v2s(k,l,itori,itori1,itori2,iblock)
-c v2sdij = v2s(l,k,itori,itori1,itori2,iblock)
v1cdij = v2c(k,l,itori,itori1,itori2)
v2cdij = v2c(l,k,itori,itori1,itori2)
v1sdij = v2s(k,l,itori,itori1,itori2)
include 'COMMON.GEO'
logical swap
double precision vv(2),pizda(2,2),auxmat(2,2),auxvec(2),
- & auxvec1(2),auxvec2(1),auxmat1(2,2)
+ & auxvec1(2),auxvec2(2),auxmat1(2,2)
logical lprn
common /kutas/ lprn
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC