ramezanpour.mohsen at gmail.com
Sat Mar 12 12:23:41 CET 2011
The exact Error is this:
Program g_energy, VERSION 4.0.7
Source code file: ../../../../src/gmxlib/enxio.c, line: 118
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> 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
> "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> 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
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