[gmx-users] trjconv -split gives null_0_null files ...
andrea spitaleri
spitaleri.andrea at hsr.it
Thu Dec 15 10:44:26 CET 2005
Hi,
an easy task:
generate n pdb files each 10 frames.
Regards
andrea
Berk Hess wrote:
>
>
>
>> From: andrea spitaleri <spitaleri.andrea at hsr.it>
>> Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> Subject: Re: [gmx-users] trjconv -split gives null_0_null files ...
>> Date: Thu, 15 Dec 2005 09:51:05 +0100
>>
>> Hi,
>> yes if I use -sep I get pdb for each frame. So, I guess, if I want
>> one frame each, let' say, 10 ps, I can use -skip 10 option along with
>> -sep since -split optiont is broken. Am I right?
>
>
> Indeed.
> Or -sep -dt 10
>
> But I don't understand what you really want.
> Do you want one or multiple frames in each pdb file?
>
> For one frame you should always use -sep, not -split.
>
> I have fixed the -sep bug for the 3.3.1 release.
>
> Berk.
>
>
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--
-------------------------------
Andrea Spitaleri
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
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