[gmx-users] particle decomposition requires preliminary trjconv -pbc mol input

[chris.neale at utoronto.ca]

future users experiencing this problem can follow this thread at:
http://bugzilla.gromacs.org/show_bug.cgi?id=383

-- original message --
Hi,

Can you file a bugzilla and attach the tpr file?

Thanks,

Berk

> Date: Tue, 5 Jan 2010 10:49:46 -0500
> From: chris.neale at utoronto.ca
> To: gmx-users at gromacs.org
> Subject: [gmx-users] particle decomposition requires preliminary  
> trjconv	-pbc mol input
>
> Thanks Berk, I actually did not have continuation = yes. I still use  
>  old-style .mdp options unconstrainted_start and gen_vel (see  
> below),  although these get replaced by grompp.
>
> Quoting grompp:
> "Replacing old mdp entry 'unconstrained_start' by 'continuation'"
>
> gpc-f101n084-$ grep continuation mdout.mdp
> ; For exact run continuation or redoing part of a run
> continuation             = no
>
> ########
>
> Here is my entire .mdp file. I have tested after turning off the  
> pull  code and it makes no difference.
<snip>