AMBER Archive (2009)

Subject: Re: [AMBER] Re: MM-PBSA delphi.crg and delphi.siz

From: suhaib sh (suhaib.shekfeh_at_gmail.com)
Date: Fri Jul 10 2009 - 09:17:52 CDT

read this answer from Holger

http://archive.ambermd.org/200212/0078.html

you will find my_amber94_Delphi.crd and parse_delphi.siz in PBSA tutorials
folder

be carefull when you add the atoms of ur inhibitor and charges ..and maybe
you need to change the C- and N Terminal residues with charges ... .siz file
could be used without problems if you dont have halogens

regards

On Fri, Jul 10, 2009 at 5:33 AM, Manish Kumar <kumarmanish.amb_at_gmail.com>wrote:

> Dear Experts,
> I am still waiting for the guidance. I searched in Google, as well as
> mailing archive but didn't get the answer.
>
> On Wed, Jul 8, 2009 at 5:29 PM, Manish Kumar <kumarmanish.amb_at_gmail.com
> >wrote:
>
> > Hi,
> > I am trying to do mm-pbsa calculation in Amber10. How can I create
> delphi.crg
> > and delphi.siz for my system.
> >
> > Thanks!
> >
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> 

-- 
Pharmacist. Suhaib Shekfeh
Medicinal Chemistry
Institute of Pharmacy
Martin-Luther-Universität Halle-Wittenberg
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