Thanks sir, I'll try, in case of any query I'll mail you.
On Mon, Nov 28, 2011 at 2:52 PM, Giovanni Pavan <giovanni.pavan.supsi.ch>wrote:
> Hi,
> you could use the AddToBox utility.
>
> (follow the tutorial
> http://ambermd.org/tutorials/advanced/tutorial13/Solvation.html)
>
> After creating 3 pdb files (containing a single methanol, a single
> chloroform and a single water molecule), you can simply fill your box with
> the right amount of molecules necessary to reach the desired stoichiometry.
> Of course, nothing will be equilibrated, so you'll need to equilibrate and
> add again new molecules probably...
> Hope it helps
> Bye
> giovanni
>
> Dr. Giovanni Maria Pavan
>
> SUPSI - Laboratory of Applied Mathematics and Physics (LaMFI)
> Centro Galleria 2, Manno 6928, Switzerland.
> e-mail: giovanni.pavan.supsi.ch
> skype: giovanni_pavan
> phone: +41 58 666 65 60
>
> -----Messaggio originale-----
> Da: rameshwar prajapati [mailto:rameshwar.niper.gmail.com]
> Inviato: domenica, 27. novembre 2011 18:35
> A: AMBER Mailing List
> Oggetto: [AMBER] how to prepare 4:4:1 methanol-chloroform-water mixture
>
> Hi,
>
> I need your help.
>
> How could I prepare a 4:4:1 methanol-chloroform-water mixture water box
> around a protein.
>
> I would be greatly thankful if anybody could help me out.
> --
> With regards,
> RAMESHWAR PRAJAPATI
> DEPT. OF PHARMACOINFORMATICS
> NIPER S.A.S NAGAR (MOHALI)
> 09569089451
> _______________________________________________
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>
>
>
> _______________________________________________
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>
--
With regards,
RAMESHWAR PRAJAPATI
Ph. D. Scholar
DEPT. OF PHARMACOINFORMATICS
NIPER S.A.S NAGAR (MOHALI)
09569089451
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Received on Mon Nov 28 2011 - 04:00:03 PST
