AMBER Archive (2003)

Subject: MM_PBSA (Amber7) and delphi

From: Sue Heavner (sheavner_at_hsc.wvu.edu)
Date: Fri Mar 21 2003 - 08:27:00 CST

Hi Amber Users,
Is anyone using delphi and mm_pbsa in Amber 7 for calculations on DNAs?
If so what charge and radii files are you using? The examples in
MM_pbsa using delphi and in delphi itself run fine (they are all
calculations on proteins) but when I run my files I get an output of 0
for PBCAL. I am using the academic version (delphi II) from Barry
Honig's group, not the Insight-delphi version. Thanks in advance for
your help. Sue