AMBER Archive (2002)

Subject: Re: leap and topology file

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Dear Marcela,
you can convert top and xyz from MD to pdb using ambpdb, then make
modifications
to the pdb, load it into LEaP and create new top and crd files.

Best regards,

 Martin Lepsik

> hi,
> is there a way to read into leap the prmtop file?
> I created the topology and coordinates with leap and equilibrated
> the waters, now I want to make a modification on the solute, is there
> a way to use the already equilibrated waters? thanks, Marcela

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