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c
dimension histt(800),histth(800),sumh(800),ph(10),phnew(10)
dimension histt1(800),histth1(800),sumh1(800)
dimension h(5000,108,108)
dimension h1(5000,108,108)
dimension avau1(10000),avau2(10000),an(10000) "
c
real mas,masinv,mn,md
do i=1,800
histt(i)=0.
histth(i)=0.
sumh(i)=0.
enddo
c
do i=1,5000
do j=1,76
do k=1,76
h(i,j,k)=0.
h1(i,j,k)=0.
enddo
delt=1./5000
do i=1,ntotal
read(51,)at(i),ax(i),ay(i),az(i)
c write (1,) ax(i), ay(i), az(i)
do j=1,natom
c read(51,)it(i,j),cx(i,j),cy(i,j),cz(i,j),vx(i,j),vy(i,j),vz(i,j)
read(51,)it(i,j),cx(i,j),cy(i,j),cz(i,j)
enddo
enddo
c Calculate centre-of-mass coordinates
do 12 i=1,ntotal
ax(i)=ax(i)
ay(i)=ay(i)
az(i)=az(i)
Just i want to know that about ".....". Can anyone help me to define the dimension terms.
Thanks
The text was updated successfully, but these errors were encountered:
I have a fortran code for finding the number of hydrogen bond from md simulation trajectory. But still i did not understand about the dimension.
c
dimension histt(800),histth(800),sumh(800),ph(10),phnew(10)
dimension histt1(800),histth1(800),sumh1(800)
dimension h(5000,108,108)
dimension h1(5000,108,108)
dimension avau1(10000),avau2(10000),an(10000) "
c
real mas,masinv,mn,md
do i=1,800
histt(i)=0.
histth(i)=0.
sumh(i)=0.
enddo
c
do i=1,5000
do j=1,76
do k=1,76
h(i,j,k)=0.
h1(i,j,k)=0.
enddo
delt=1./5000
do i=1,ntotal
read(51,)at(i),ax(i),ay(i),az(i)
c write (1,) ax(i), ay(i), az(i)
do j=1,natom
c read(51,)it(i,j),cx(i,j),cy(i,j),cz(i,j),vx(i,j),vy(i,j),vz(i,j)
read(51,)it(i,j),cx(i,j),cy(i,j),cz(i,j)
enddo
enddo
c Calculate centre-of-mass coordinates
do 12 i=1,ntotal
ax(i)=ax(i)
ay(i)=ay(i)
az(i)=az(i)
Just i want to know that about ".....". Can anyone help me to define the dimension terms.
Thanks
The text was updated successfully, but these errors were encountered: