[gmx-users] maestro cms file to gromacs

Michael Shirts mrshirts at gmail.com
Tue Oct 6 16:57:10 CEST 2015

> Is there any way to use maestro cms file  for md simulations in gromacs.

If it's just proteins / water / ions, then saving as a pdb and using
pdb2gmx is probably the best.

If it contains other things, you can try:


This is still in alpha, so no guarantees it will work correctly.
We'll be happy to help identify bugs.  Clone the git repository and
checkout the 'develop' branch.  Please verify the energies match; like
I said, it's alpha, so there could easily be conversion problems if
the file is non-standard.

On Sun, Sep 27, 2015 at 4:12 AM, Chetan Puri <chetanpuris at gmail.com> wrote:

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