[gmx-users] from coarse-grained to all atoms

Francesco Carbone fra.carbone8 at gmail.com
Tue Jun 3 16:42:42 CEST 2014

Good afternoon,
I have some trajectories of coarse-graned (CG) simulations obtained using
the UNRES force field (not implemented in GROMACS).

I'd like to apply the analysis protocol that I generally use for gromacs
trajectories also to these one, but because there are no native tools,  I
was thinking about doing something like:

1) convert each structure of the CG trajectory to all atoms (using their
2) use trjcat to generate a gromacs trajectory (.xtc)
3) use gromac tools on it.

May this approach work or it would generate unreliable results?



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