AMBER Archive (2002)

Subject: problems using Link

From: John Finke (jfinke_at_chem.ucsd.edu)
Date: Tue Mar 26 2002 - 14:39:59 CST

I am attempting to construct a protein comprised entirely of external
residue .db files. Each residue contains 2 atoms. I am able to do this
successfully up to the 100th residue. At residue 101, the Link procedure
results in the following error.

"findrs: problems finding residue of atom 0"

I have done a little rummaging through the code, and the "atom 0" refers
to the variable NA0, which somehow is perceived as 0 in the 101st residue.

I suspect that the maximum value of some parameter is to small
Unfortunately, I have not been able to find it - the logical
parameters (MAXMOL = 200, MAXRES=7500, MAXATM=20000, MAXBND=21000,
MAXANG=33000, MAXDIH=50000, MAXEXEC=90000, MAXEXR=200, MAXCRS=300) do not
seem to be causing the problem.

Any suggestions?

John Finke
jfinke_at_ucsd.edu