[gmx-users] tpr older version message

Jack Shultz js at drugdiscoveryathome.com
Sun Dec 27 14:50:55 CET 2009

If I preped the tpr using amber forcefields, could that be the reason?
The mdrun I am using does not have any force field libraries in its

On Sat, Dec 26, 2009 at 11:57 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> Jack Shultz wrote:
>> I preped this ligand using acpypi followed by grompp
>> grompp -f em.mdp -c ligand_GMX.gro -p ligand_GMX.top
>> I tested this .tpr file on my server. WheI had another computer run it
>> I get the following message. However we are using the same versions of
>> gromacs.
>> Back Off! I just backed up md.log to ./#md.log.2#
>> -------------------------------------------------------
>> Program mdrun, VERSION 4.0.5
>> Source code file: tpxio.c, line: 1643
>> Fatal error:
>> Can not read file topol.tpr,
>>             this file is from a Gromacs version which is older than 2.0
>>             Make a new one with grompp or use a gro or pdb file, if
>> possible
>> -------------------------------------------------------
> I'd say it's evident that if the file is not corrupted (use gmxcheck), the
> GROMACS installations weren't the same (unmodified) version. Reproduce the
> conditions and run grompp -h to inspect the version.
> Perhaps you are having a problem with a shared-library mismatch.
> If you have such an old version of GROMACS around, either uninstall it and
> retire the sysadmin, or send the computer to a museum :-)
> Mark
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