[AMBER] chamber - Fortran runtime error

From: colvin <colvin4367.gmail.com>
Date: Wed, 28 Dec 2011 15:27:19 +0800

Dear all,

I am getting two different errors for two different systems, after
executing the chamber command (exactly the same command from amber
manual), using the input from CHARMM-GUI.

The first error was:

--- Found all ATOM TYPES in topology file

At line 388 of file _psfprm.f
Fortran runtime error: Bad value during floating point read

and the second error was:

XTented file format is being used
At line 2690 of file _psfprm.f (unit = 20, file = 'step5_assembly.psf')
Fortran runtime error: Bad value during integer read

I understand that the second error was due to the psf file format
(according to previous post in amber archive), but i'm using the file
from CHARMM-GUI and not the xplor psf.

I have no idea what is going wrong here, any help or suggestions are welcome.

Thanks and regards,

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Received on Tue Dec 27 2011 - 23:30:03 PST
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