dear sir
please give me some detail , how i simulate 10 disaccharide and 200 water
molecule.
On Wed, Aug 25, 2010 at 5:42 PM, Lachele Foley (Lists) <lf.list.gmail.com>wrote:
> I can't respond in detail right now. But, this is a more general leap
> usage question if someone else can answer easily. You need only build
> your 10 disaccharides as separate molecules in sleap and use the
> translate (I think) command to move them apart from each other. After
> that, solvate. I don't recall at the moment how to specify number of
> waters.
>
> :-) L
>
>
> On Wed, Aug 25, 2010 at 3:22 AM, subrata paul <paul.subrata34.gmail.com>
> wrote:
> > Dear Sir,
> >
> > I am totaly new in amber. I am going through the tutorials. I am able
> > to creat .prmtop and .inpcrd file for a disaccharide using glycam force
> > field in amber. Is it possible to creat .prmtop and .inpcrd for a
> > disaccharide using amber force field.
> >
> > I can simulate one disaccharide with solvatebox in amber. I want
> to
> > simulate 10 disaccharide and 200 water , but i don't know how i increase
> > the number of disaccharide in the system and how i fixed the number of
> water
> > molecule?
> >
> > Thanking You
> > subrata
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
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Received on Thu Aug 26 2010 - 02:00:03 PDT
