AMBER Archive (2000)

Subject: Too many atoms

From: Mark A. Zottola (asnmaz01_at_asnmail.asc.edu)
Date: Sat Sep 23 2000 - 11:40:54 CDT


I am trying to build an input deck for a dynamics simulation. Everything
seems to go well up to parm. When I try to run parm (AMBER5.0), I find
that I get the following error message :

Missing mass parameter: Atom number 759 type

This error message continues till it hits atom 809. The job then aborts
due to too many errors.

The simulation I am trying to do is DNA in a water box. I have read in the
cordinates of the DNA from a pdb file. There are only 758 atoms in the pdb
file. I'd welcome any hints as to where to look for the source of this
error.

Thanks...

mark