[AMBER] resending -- chamber-fortran runtime error

From: colvin <colvin4367.gmail.com>
Date: Thu, 29 Dec 2011 08:38:53 +0800

Dear all,

I'm sending this email again and hope to get useful feedback... i need a
solution for the problems.

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

Thanks and regards,
AMBER mailing list
Received on Wed Dec 28 2011 - 17:00:03 PST
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