Dear Max,
I've open your file and I see some weird characters in the "grname"
namelist. (I see this "grnam1(10)=âOâ, grnam1(11)=âOâ,
grnam1(12)=âOâ".....)
Maybe you've used a script with a wrong format ?
ATB.
Jerome
On Tue, 2011-06-21 at 16:51 +0100, Massimiliano Porrini wrote:
> Dear all,
>
> I am trying to put a harmonic restraint potential between the backbone oxygens
> centres of mass of two monomers (each made up of 51 residues).
>
> When I run sander I get the following error on the standard output:
>
>
> PGFIO-F-225/namelist read/unit=33/lexical error-- unknown token type.
> File name = restraints.dat formatted, sequential access record = 7
> In source file _nmrcal.f, at line number 955
>
>
> The restraints.dat file is attached and it contains also some
> chirality restraints.
>
> I have been trying to spot the error, but in vain.
> It would be great if you might help to find the syntax errors I have
> done in writing it
> (as the error message speaks about "lexical error").
>
> Besides, If I remove the part related to the center of masses (the one
> at the top)
> sander works fine.
>
> Many thanks in advance.
>
> All the best,
> M
>
>
> --
> Dr Massimiliano Porrini
> Institute for Condensed Matter and Complex Systems
> School of Physics & Astronomy
> The University of Edinburgh
> James Clerk Maxwell Building
> The King's Buildings
> Mayfield Road
> Edinburgh EH9 3JZ
>
> Tel +44-(0)131-650-5229
>
> E-mails : M.Porrini.ed.ac.uk
> mozz76.gmail.com
> maxp.iesl.forth.gr
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--
Jérôme Golebiowski, PhD (Hab. Dir. Rech.)
LCMBA, UMR CNRS-UNS 6001
Molecular Modeling team
University of Nice Sophia Antipolis, Parc Valrose
06108 Nice cedex 2
http://www.unice.fr/lcmba/golebiowski
tel +33 (0)4 92 07 61 03
fax +33 (0)4 92 07 61 25
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Received on Wed Jun 22 2011 - 01:00:03 PDT
