VMD-L Mailing List

From: elena ermakova (ermak090_at_mail.ru)
Date: Tue Dec 08 2015 - 02:48:04 CST

Hello, 
 
I would really appreciate if anyone can provide some input to the following question: 

VMD is able to calculate interaction energy between any pair of residues along the trajectory.

Question is:
Is any script which allow to calculate the interaction energies between ALL pairs of residues ( may be in cycle) and save them to file or files?

Thank you very much.
Elena