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