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.moh...@gmail.com <mailto:ramezanpour.moh...@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.ot...@gmail.com <mailto:francesco.ot...@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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