[gmx-users] tpbconv-problem in 3.1.4
Erik Lindahl
lindahl at stanford.edu
Tue Jun 25 18:52:14 CEST 2002
Rainer Boeckmann wrote:
> Dear All,
>
> there maybe a problem with tpbconv in version 3.1.4: when restarting using
> tpbconv to generate the tpr-file I got a problem concerning the exclusions,
> which does not appear when using grompp (with -t option) instead. Looking more
> closely at the respective tpr-files the only difference I found was the
> following in the exclusions-section:
>
> with grompp:
> excl[3585][13519..13521]={3584, 3585, 3586}
> with tpbconv:
> excl[3585][13519..13521]={3584, 15666689, 3586}
>
> best regards,
> rainer
>
Hi Rainer,
I don't think I've experienced this myself; do you think you could send
me a set of files so I can repeat the error?
(If it's a huge trajectory, it would be nice if you could trim it down
and still repeat the error :-)
Cheers,
Erik
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