[gmx-users] versions

Francesco Oteri francesco.oteri at gmail.com
Sat Mar 12 15:22:40 CET 2011

That are different way:
1. Performing analysis directly on the cluster where 4.5.3 is installed
2. Installing gmx 4.5.3 on you laptop.
3. Writing a program that converts from 4.5.3 to 4.0.7

Il 12/03/2011 12:16, mohsen ramezanpour ha scritto:
> 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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