Re:

From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Thu Jan 29 2009 - 10:01:28 CST

It appears you only have 171 dihedral sets listed, but the listed number
says "173 !NPHI: dihedrals" (e.g., 1 line of dihedrals is missing or 2
dihedral sets). .
------------------------------------------------
Joshua D. Moore
Graduate Student
North Carolina State University
Dept. of Chemical and Biomolecular Engineering
Box 7905 Centennial Campus
Engineering Building I
911 Partners Way
Raleigh, NC 27695-7905
Phone: (919) 513-2051
Fax: (919) 513-2470
Email: jdmoore_at_unity.ncsu.edu
------------------------------------------------

On Wed, Jan 28, 2009 at 4:29 AM, OZGE ENGIN <OZENGIN_at_ku.edu.tr> wrote:

> Hi All,
>
> While I am trying to create a psf file for my molecule, but I got the
> following error:
>
> FATAL ERROR: ALPHA CHARCTER ENCOUNTERED WHILE READING DIHEDRALS FROM PSF
> FILE
>
> I looked at the mailing list and saw that somebody has also encountered
> with the same error, but his message was not replied. I also looked at the
> code. I think such an error is the result of having a character rather than
> having a number in the dihedral section of psf file. However, the psf file
> looks OK.
>
> I am attaching the psf file. I was stuck with this error.
>
> Thanks in advance ...
>
> Ozge Engin
> =================================
> Computational Science & Engineering
> Koc University
>

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