[gmx-users] Auto-correlation function of transition dipole moment of chromophore and average density of chromophore around protein

[Mayank Dixit]

Dear All,
                   I have attached a chromophore with a protein by covalent
bond and performed exchanged bias metadynamics simulations using gromacs. I
want to calculate the auto-correlation function of transition dipole moment
of chromophore and average density of chromophore around protein.
I have used gmx dyecoupl but I am not able to get correlation function of
dipole moment.
Please let me know the details.
Your help and support are greatly appreciated.
MD


*Dr. Mayank  Dixit *
Research Scholar
Binghamton university
*Chemistry Dept*
4400 Vestal Parkway East
Binghamton, NY 13902-6000