[AMBER] I/O errors while using CHARMM psf with CHAMBER

From: Debayan Chakraborty <debayan.ch.gmail.com>
Date: Fri, 11 Oct 2013 00:23:01 +0100

Dear amber users,
                           I have been trying to use the CHAMBER utility to
generate an AMBER topology and coordinate files from CHARMM psf and crd.
But everytime I am encountering I/O FORMAT error.

I tested out all the test cases available within the AmberTools suite and
all of them generated the prmtop and inpcrd files within any warnings. The
error is as follows:

*************************************************************************************************
PGFIO-F-217/formatted read/unit=20/attempt to read past end of file.
 File name = rna.psf formatted, sequential access record = 988
 In source file psfprm.F90, at line number 2320
***********************************************************************************************

The psf and crd files were created using the CHARMM program using the
CHARMM22 force-field. There were no warnings (with bomlev -1), during the
creation of the psf and crd files and I was able to run minimizations
within CHARMM.

It would be really helpful if anyone can help me resolve this. The psf and
crd files for the RNA structure are attached.

Best Regards,
Debayan Chakraborty
PhD student,
University of Cambridge


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Received on Thu Oct 10 2013 - 16:30:03 PDT
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