AMBER Archive (2002)

Subject: ambpdb problem (fwd)

From: amber_at_heimdal.compchem.ucsf.edu
Date: Mon Aug 26 2002 - 16:50:32 CDT

---------- Forwarded message ----------
Date: Thu, 22 Aug 2002 11:04:23 -0300
From: Sophia Kondratova <x357l_at_unb.ca>
To: amber <amber_at_heimdal.compchem.ucsf.edu>
Subject: ambpdb problem

I am trying to convert a .rst from an MD run to a pdb file using the ambpdb
command, but the following error message comes up:

ambpdb -p tripodal.top
| New format PARM file being parsed.
| Version = 1.000 Date = 07/24/02 Time = 11:58:11

  ATOMS DO NOT MATCH BETWEEN PARM AND MIN FILES 5987 0

even though in both .top file .rst file, there are the same number of atoms.

Any help would be appreciated.

Sophia Kondratova
Chemistry Department
University of New Brunswick