Re: AMBER: using packmol file in Amber

From: David A. Case <>
Date: Tue, 25 Nov 2008 14:45:29 -0500

On Tue, Nov 25, 2008, oguz gurbulak wrote:
> 11
> check OAS ( I got some errors and warnings )

*What* errors and warnings?

> 12
> saveamberparams OAS h.prmtop h.inpcrd ( leap couldn't create input
> files )

Why not? What were the output messages?

Basically, all you have said is "leap didn't work..." without giving any of
the error messages you received.

[A *very wild* guess: Be sure you have TER cards between each
separate molecule in the input pdb file.]


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Received on Fri Dec 05 2008 - 16:45:02 PST
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