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
http://bakergroup.wustl.edu/baker/classes/nbcr/2006/mm-pbsa/lab/book1.html

but suddenly it does not open.


Warm regards,
nahren