AMBER Archive (2002)

Subject: RE: a problem

From: John Bushnell (bushnell_at_chem.ucsb.edu)
Date: Wed Apr 24 2002 - 16:02:31 CDT

Add a blank line at the end of gan_2nd.in

---------- Forwarded message ----------
Date: Mon, 22 Apr 2002 17:56:48 +0200
From: Vlad Cojocaru <Vlad.Cojocaru_at_mpi-bpc.mpg.de>
To: amber_at_heimdal.compchem.ucsf.edu
Subject: a problem

I am running RESP for different molecules applying the same fit for all.
For one of them everything works perfectly but for the second the
program is aborted with this message:

fmt: end of file
apparent state: unit 5 named gan_2nd.in
last format: (i5,f10.5)
lately reading sequential formatted external IO
Abort
Error: check .out and try again

I must say that the .in file for the 2 molecules is the same (the only
change of course is the atoms)
I also have to say that this a 2 stage fit and the first stage works
perfectly for the second moleculae also.
Does anyone have an ideea what might happen here? 

-- 
Vlad Cojocaru 
Max Planck Institut for Biophysical Chemistry 
Deparment: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1389 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de