Well, it seems that any double precision energy file can not be read by 4.5.1 or 4.5.2 code. This is such a serious issue that we should bring out 4.5.3 within a week.
If you only need the box, g_traj can produce that. If you need other energies you can use a 4.5.1 g_energy for the moment. Berk > Date: Tue, 2 Nov 2010 11:55:34 +0100 > From: [email protected] > To: [email protected] > Subject: [gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2 > > > Sander pronk wrote: > > > > Hi Michael, > > > > I've been able to reproduce both problems - I'll fix them shortly. > > thanks for your swift reply! > > I assume any fix will be in the Git version only for some time > to come, right? > > cheers, > Michael > > > > Sander > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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