AMBER Archive (2002)

Subject: compiling without ISTAR2

From: Prem Raj (prbj_at_rediffmail.com)
Date: Thu Sep 19 2002 - 12:27:48 CDT

Dear Amber users,
          I started a dynamics simulation on a protein molecule
with
explicit water using Amber 6 ( sander_classic). The system has a
total of
34800 atoms. when I ran the initail minimisation I got the below
error.
           GROUP 8 HAS HARMONIC CONSTRAINTS 500.00000
  GRP 8 RES 141 TO 157
       Number of atoms in this group = 288
     ----- END OF GROUP READ -----
Ligand Grid: OFF (not requested)
    Too many atoms for 16 bit pairlist -
      Recompile without ISTAR2

In which file should I make these changes before I recompile the
software.

************************************************************
  Prem Raj B. Joseph
  Dept. of Chemistry and Biochemistry
  Howard Hughes Medical Institute
  University of Maryland Baltimore County
  1000 Hilltop Circle, Baltimore, MD 21250
  Ph: (410)455-2718
  email: prem_at_hhmi.umbc.edu, prbj123_at_rediffmail.com

Residence:
  4747 Drayton Grn
  Baltimore, MD - 21227
  Ph(Res): (410)247-2413
*************************************************************

thanks in advance.