[gmx-users] trjconv error

[parthiban at ncbs.res.in]

Dear Tsjerk

we have checked it., but of no use it giving some error.,
for your kind information, this "trjconv_mpi" command works for a protein
with a drug molecule, a protein moleclue, a dimer, etc..

but it gives out error only for a dimer with  a drug complex., its really
a mystery., if i am making error in preperation also gromacs should give
error while executing, but it does not.

any suggestions.

Thanks
Parthi & Sundar
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> Message: 3
> Date: Wed, 27 Aug 2008 09:53:02 +0200
> From: "Tsjerk Wassenaar" <tsjerkw at gmail.com>
> Subject: Re: [gmx-users] trjconv error
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Message-ID:
> 	<8ff898150808270053y68ecb5f0mdf004fa1295ec521 at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Hi Parthiban and Sundar,
>
> Did you check the .trr file with gmxcheck?
>
> By the way, is this still that same (faulty) trjconv of these
> sysadmins of yours who compiled it with gcc 4.x?
>
> Cheers,
>
> Tsjerk
>
>
> On Wed, Aug 27, 2008 at 8:36 AM,  <parthiban at ncbs.res.in> wrote:
>> hi all
>>
>> i can able to get .trr file after running md for 10 hrs
>> but i cannot able to get the .trr to .xtc file which gives out the
>> following error. can anyone guess, what type of error is this, & how to
>> resolve it..
>>
>> Parthiban & Sundar
>>
>> ------------------------------------------------------- time    3.500
>> Program trjconv_mpi, VERSION 3.3.1
>> Source code file: trnio.c, line: 66
>>
>> File input/output error:
>> Can not determine precision of trn file
>> -------------------------------------------------------
>>