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Hi,<br>
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?<br>
<br>
Regards,<br>
<br>
andrea<br>
<br>
Berk Hess wrote:
<blockquote cite="midBAY110-F14403237D0308D155B9A18E3B0@phx.gbl"
type="cite"><br>
<br>
<br>
<blockquote type="cite">From: David van der Spoel
<a class="moz-txt-link-rfc2396E" href="mailto:spoel@xray.bmc.uu.se"><spoel@xray.bmc.uu.se></a>
<br>
Reply-To: Discussion list for GROMACS users
<a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a>
<br>
To: Discussion list for GROMACS users <a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a>
<br>
Subject: Re: [gmx-users] trjconv -split gives null_0_null files ...
<br>
Date: Wed, 14 Dec 2005 22:44:15 +0100
<br>
<br>
<a class="moz-txt-link-abbreviated" href="mailto:spitaleri.andrea@hsr.it">spitaleri.andrea@hsr.it</a> wrote:
<br>
<blockquote type="cite">Hi,
<br>
I see. However if I use trjconv -split along with -sep it works, giving
<br>
output as X_0.pdb X_1.pdb and so on.
<br>
</blockquote>
<br>
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.
<br>
</blockquote>
<br>
I guess -split combined with -sep will give separate files for each
<br>
frame. That is what -sep alone should do.
<br>
If you selected pdb as output I assume you want 1 frame per pdb file,
<br>
so you should use only -sep, not -split.
<br>
<br>
The -split option is currenly broken.
<br>
<br>
Berk.
<br>
<br>
<br>
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<br>
<div class="moz-signature">-- <br>
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Andrea Spitaleri <br>
Dulbecco Telethon Institute<br>
c/o DIBIT Scientific Institute<br>
Biomolecular NMR, 1B4<br>
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