Re: [AMBER] VIBRATIONAL FREQUANCY USING NMODE

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 13 Feb 2013 14:24:18 -0700

Hi,

Please refrain from typing in all caps.

You may want to check out section 3.5 of the advanced Amber tutorial 3
(http://ambermd.org/tutorials/advanced/tutorial3/py_script/section5.htm).
If you have some more specific questions people may be able to help
further. Good luck,

-Dan

On Wed, Feb 13, 2013 at 6:32 AM, Rasha Alqus
<rasha.alqus.postgrad.manchester.ac.uk> wrote:
> HI,
>
> AM A NEW USER TO AMBER AND AM TRYING TO CALCULATE THE VIBRATIONAL FREQUANCY OF CELLULOSE CHAIN,CAN ANY ONE TELL ME HOW TO DO THAT.
>
> NOTE: I READ IN THE AMBERTOOL12 PAGE 429-430 ON USING NAB NMODE, CAN SOME ONE OFFER HELP FOR ME IN THIS SUBJECT
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 13 2013 - 13:30:02 PST
Custom Search