Re: [AMBER] Atome type fatal error

From: David A Case <>
Date: Wed, 6 May 2015 09:12:53 -0400

On Wed, May 06, 2015, Pierre Bertin wrote:

> >cnt = loadMol2 CNT.mol2
> >mods = loadAmberParams CNT.frcmod
> #put the cnt unit in library :
> >saveoff cnt cnt.lib

Hannes pointed out the way to merge units into a .lib file:

saveoff { cnt mods } cnt.lib

I'll just note that you generally don't need to create a .lib file:
just load the mol2 and frcmod files for CNT into LEaP when you need them.


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Received on Wed May 06 2015 - 06:30:03 PDT
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