Re: [AMBER] Can we load rst files in leap?

From: Jason Swails <>
Date: Wed, 12 Jan 2011 13:38:32 -0500

This cannot be done to my knowledge. Hopefully you still have your leap.log
and other files (frcmod and/or libraries) from when you created the initial
topology file, in which case you'll need these again.

Good luck!

On Wed, Jan 12, 2011 at 1:36 PM, Baptiste Legrand <>wrote:

> 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
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Wed Jan 12 2011 - 11:00:02 PST
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