[gmx-users] Fw: last frame in trr

Floris Buelens floris_buelens at yahoo.com
Mon Oct 4 11:31:35 CEST 2010


sorry for the incomplete post before, believe it or not my cat was to blame.

I want to write out only the final frames from a set of trr trajectories. This 
was discussed here with apparently only a workaround:

http://www.mail-archive.com/gmx-users@gromacs.org/msg19545.html

however intuitively it seems trjconv should do this with the -dump option 
documented like this:

-dump        time   -1      Dump frame nearest specified time (ps)

if I give e.g. -dump 999999 trjconv doesn't do what the description led me to 
believe but falls off the end with "WARNING no output". Wouldn't it make more 
sense for trjconv to write out the last frame?
Thanks,

Floris




----- Forwarded Message ----
From: Floris Buelens <floris_buelens at yahoo.com>
To: gmx-users at gromacs.org
Sent: Mon, 4 October, 2010 11:24:57
Subject: last frame in trr

Hi,

I want to write out only the final frames from a set of trr trajectories. This 
was discussed here:

however intuitively it seems trjconv should do this with the -dump option 
documented like this:

-dump        time   -1      Dump frame nearest specified time (ps)

if I give e.g. -dump 999999 trjconv doesn't do what the description led me to 
believe


      



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