Hi Jerome,
Many thanks for helping me.
Yes, it was a problem of copying and pasting from Amber manual:
basically those weird characters were pasted instead of the prime symbol (') .
Cheers,
Max
2011/6/22 Jerome Golebiowski <jerome.golebiowski.unice.fr>:
> Dear Max,
> I've open your file and I see some weird characters in the "grname"
> namelist. (I see this "grnam1(10)=’O’, grnam1(11)=’O’,
> grnam1(12)=’O’".....)
>
>
> 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
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
> --
> 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
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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Received on Wed Jun 22 2011 - 02:00:03 PDT
