Re: leap and topology file

From: Lepsa <>
Date: Fri 13 Sep 2002 16:39:45 +0200

Dear Marcela,
you can convert top and xyz from MD to pdb using ambpdb, then make
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
Received on Fri Sep 13 2002 - 07:39:45 PDT
Custom Search