a problem

From: Vlad Cojocaru <Vlad.Cojocaru_at_mpi-bpc.mpg.de>
Date: Mon 22 Apr 2002 17:56:48 +0200

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
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  
Received on Mon Apr 22 2002 - 08:56:48 PDT
Custom Search