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

Berk Hess gmx3 at hotmail.com
Thu Dec 15 10:14:23 CET 2005




>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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