Dear all,
I want to use structures from a previous MD run in vacuum to launch a
run in a solvent box. Is it possible to load directly my rst and prmtop
files in leap to create "solvated" starting files?
For the moment, I have convert the rst files in pdb using ambpdb
nevertheless the generated pdb don't have the 'atom type' column and
cannot be loaded in leap.
Thanks,
Best wishes,
Baptiste
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Received on Wed Jan 12 2011 - 11:00:02 PST
