[gmx-users] conversion of gromacs files to amber files

Francesco Oteri francesco.oteri at gmail.com
Tue Dec 7 12:52:14 CET 2010


You can try using vmd. It has a powerful language selection and it can 
be used remotely.
There is one disadvantage: the trajectory MUST fit into memory since vmd 
loads the trajectory into memory.
If this is not the case,  you can use the script "bigdcd" that permits 
to load one frame in memory,  analyzing it and then removing it from the 
memory.
Then the next frame is loaded and the cicle start again.

> Dear gromacs users
>
> I did simulation of protein-dna by gromacs and amber03 force field. I 
> want to do some analysis by amber. what is the best way for conversion 
> of gromacs trajectory and topology files to amber files?
>
> any help will highly appreciated.
>
> -- 
> Leila Karami
> Ph.D. student of Physical Chemistry
> K.N. Toosi University of Technology
> Theoretical Physical Chemistry Group
>




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