AMBER Archive (2002)

Subject: can carnal do the job as anal to break down the energy?

From: Haizhen Zhong (zhongh_at_umich.edu)
Date: Wed Aug 28 2002 - 13:02:48 CDT

Dear Dr. Gohlke and amber users:

This is Haizhen. I have one question to bother you. In the AMBER manual,
it is said that CARNAL is designed to replace ANAL eventually. Now I am
wondering how to get the energy components from mdcrd, using CARNAL, but
not ANAL. In Anal, you can get E-ele, E-vdw, E-bond, E-angle, E-torsions,
and etc. from calculating the mdcrd files. Can it be done in Carnal? If
possible, would you please tell me how? What kind of in file should be
used? Do you have any sample in file for this type of job?

Thank you very much for your help.

Haizhen