[gmx-users] tpbconv error with 3.3_beta_20050202

[Berk Hess]

>From: "Dallas B. Warren" <Dallas.Warren at vcp.monash.edu.au>
>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] tpbconv error with 3.3_beta_20050202
>Date: Mon, 25 Jul 2005 07:56:32 +1000
>
>David,
>
> > if you give it an index it assumes you want to make a subset
> > of the current tpr. If that's not what you want, don't give
> > it an index file.
>
>Yes, that is correct.
>
>But I haven't given it an index file and haven't used the index file
>switch.  So for some reason it is assuming there is meant to be one.
>Hence the error report.
>
>And even if I do give it an index file, with a single group containing
>the entire system, the system still crashes.

Explicitly setting the -f option will solve the problem.

I the latest CVS I had already implemented that tpbconv will not
do the subgroup stuff when -f, -time, -extend or -until is set.

Berk.