|Dear APBS Users,|
I would like to do MMPBSA calculation on my trajectory (generated with GROMACS).
How can i calculate the necessary energies for the coordinates in my trajectory.
Calculating the energy for 1 or 2 frames can be done manually. But to automate the procedure (for the trajectory) I am sure there must be a simple way.
I tried to write a TCL script in VMD but I am unable to store the result of APBS. Please instruct me.
I was making use of the tutorial few weeks back
but suddenly it does not open.