[gmx-users] Auto-correlation function of transition dipole moment of chromophore and average density of chromophore around protein
dixit.mayank2 at gmail.com
Mon Dec 31 18:46:54 CET 2018
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
Please let me know the details.
Your help and support are greatly appreciated.
*Dr. Mayank Dixit *
4400 Vestal Parkway East
Binghamton, NY 13902-6000
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