[gmx-users] trjconv -split gives null_0_null files ...

David van der Spoel spoel at xray.bmc.uu.se
Wed Dec 14 22:44:15 CET 2005


spitaleri.andrea at hsr.it wrote:
> Hi,
> I see. However if I use trjconv -split along with -sep it works, giving
> output as X_0.pdb X_1.pdb and so on.

I see, is that indeed the wanted behavior? In that case I can just set 
the flag for separate files whenever the -split option is used.
> 
> Regards,
> 
> andrea
> 
> Andrea Spitaleri 
> Dulbecco Telethon Institute 
> c/o DIBIT Scientific Institute
> Biomolecular NMR, 1B4
> Via Olgettina 58
> 20132 Milano (Italy)
> 
> ----- Original Message -----
> From: David van der Spoel <spoel at xray.bmc.uu.se>
> Date: Wednesday, December 14, 2005 8:10 pm
> Subject: Re: [gmx-users] trjconv -split gives null_0_null files ...
> 
> 
>>andrea spitaleri wrote:
>>
>>>Hi there,
>>>I am using trjconv in order to split a xtc file in different pdb 
>>
>>files:> trjconv -f file.xtc -o X.pdb -split 10 -s topol.tpr
>>
>>>it creates the pdb files but with these names:
>>>null_0_null
>>>null_1_null
>>>.... and so on.
>>>What is going on? I am using gromacs 3.3 compiled on intel 686 
>>
>>(suse 9.1)
>>
>>>Thanks
>>
>>Known bug, see:
>>http://bugzilla.gromacs.org/show_bug.cgi?id=24
>>
>>>Regards
>>>
>>>andrea
>>>
>>>-- 
>>>-------------------------------
>>>Andrea Spitaleri
>>>Dulbecco Telethon Institute
>>>c/o DIBIT Scientific Institute
>>>Biomolecular NMR, 1B4
>>>Via Olgettina 58
>>>20132 Milano (Italy)
>>>Get Firefox! <" 
>>
>>target="l">http://www.spreadfirefox.com/?q=affiliates&id=0&t=85>> -
>>------------------------------
>>
>>>
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>>
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>>
>>-- 
>>David.
>>________________________________________________________________________
>>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>>Dept. of Cell and Molecular Biology, Uppsala University.
>>Husargatan 3, Box 596,          75124 Uppsala, Sweden
>>phone:        46 18 471 4205                fax: 46 18 511 755
>>spoel at xray.bmc.uu.se        spoel at gromacs.org   
>>
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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