[gmx-users] versions

[David van der Spoel]

On 2011-03-12 12.23, mohsen ramezanpour wrote:
> The exact Error is this:
>
> Program g_energy, VERSION 4.0.7
> Source code file: ../../../../src/gmxlib/enxio.c, line: 118
>
> Fatal error:
> You are trying to read an edr file of GROMACS version 4.1 or later with
> GROMACS version 4.0
>
Upgrade gromacs.
>
>
>
>
> On Sat, Mar 12, 2011 at 2:46 PM, mohsen ramezanpour
> <ramezanpour.mohsen at gmail.com <mailto:ramezanpour.mohsen at gmail.com>> wrote:
>
>     thanks for your replies.
>
>     Yes,you are correct.
>     Actually I need to analyze my trajectories and energy files .
>     I tried but I couldn't use from my energy.edr file in old
>     version(4.0.7),it say:
>     "it seems you want to read edr file from version 4.1 or latter with
>     old version "
>     Please let me know how can I solve this problem
>     Thanks in advance
>
>     On Sat, Mar 12, 2011 at 1:38 PM, Francesco Oteri
>     <francesco.oteri at gmail.com <mailto:francesco.oteri at gmail.com>> wrote:
>
>         Hi mohsen,
>         I think that "I need to work with them in v.4.0.7"  means that
>         you need to ANALYZE your trajectory with gmx4.0.7. Is it correct?
>         If this is the case, problem should not arise with trajectory files.
>
>         You should have problems only with topology that is not
>         back-compatible.
>         However, for the majority of gmx programs, a pdb file that
>         represents your system is sufficient.
>
>         If you strictly need a .tpr file, I suggest you to create a new
>         topology with the 4.0.7 version.
>
>
>         Il 12/03/2011 08:54, mohsen ramezanpour ha scritto:
>
>             Dear All
>
>             How can I read and work on outputs of one  version of
>             Gromacs with tools of other version?
>             Because I have run my program on cluster(version 4.5.3) ,but
>             I need to work with them in v.4.0.7
>
>             Suppose I have to work with this version and there is not
>             any way to change versions neighter on cluster no on my laptop
>             Please let me know if there is any solution
>             thanks in advance for your guidances
>             Mohsen
>
>
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>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se