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