[gmx-users] CG to Atomistic

Lili Peng lpeng at ucsd.edu
Fri Aug 7 23:20:20 CEST 2009


I have only used CG Builder to convert atomistic models to coarse-grained
models.  However, I think if you accurately specify your groups of atoms to
CG beads in your .RCG file, the plugin should work just fine.

It is also noted on the VMD website you *need* your original atomistic PDB
in order for the CG --> AA conversion to work successfully, in addition to
your coarse-grained PDB and .rcg file.

Good luck

2009/8/7 Johnny Lam <johntus at berkeley.edu>

> Hi Edson and Lili,
> Were you guys able to get the VMD CGtool plugin to successful revert your
> CG models back to all-atom models? I was just wondering because the
> special software developed by the martini folk requires a recompilation of
> gromacs. Thanks!
> --Johnny
> -------------------------------------------------
> Johnny Lam
> ISPE Berkeley Chapter External Vice President
> Department of Bioengineering
> College of Engineering
> University of California, Berkeley
> Tel: (408) 655- 6829
> Email: johntus at berkeley.edu
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