David van der Spoel
spoel at xray.bmc.uu.se
Sat Mar 12 13:08:12 CET 2011
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
> 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
> 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
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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
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