AMBER Archive (2009)
Subject: Re: [AMBER] Re: MM-PBSA delphi.crg and delphi.siz
From: Ray Luo (ray.luo_at_uci.edu)
Date: Fri Jul 10 2009 - 11:32:18 CDT
Is there any compelling reason that you cannot use PBSA in Amber10? Note
that PBSA is numerically consistent with Delphi given exact input
coordinates and coordinates. If you want to use Delphi, you are on your
own because we no longer offer developer support to Delphi in Amber.
All the best,
Ray Luo, Ph.D.
Dept Molecular Biology & Biochemistry
University of California, Irvine, CA 92697
USPS: PO Box 3900 Email: rluo_at_uci.edu
Phones: (949) 824-9528, 9562
Manish Kumar 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:
>> I am trying to do mm-pbsa calculation in Amber10. How can I create delphi.crg
>> and delphi.siz for my system.
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