AMBER Archive (2002)

Subject: mm_pbsa

From: Sue Heavner (sheavner_at_hsc.wvu.edu)
Date: Fri Sep 20 2002 - 15:00:36 CDT

Hi:
   I am using mm_pbsa in amber7. I would like to include Na ions in the
   calculations but keep getting errors including "bad atom type: IP"
and
   "Can't use an undefined value as an ARRAY reference at
   /usr/local/amber7/src/mm_pbsa/mm_pbsa_statistics.pm line 1234.". I
   think maybe I need to modify the code in mdread.f. Can anybody help?

   Thank-you, Sue Heavner