Re: [AMBER] xLeap and Windows questions

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 24 Jul 2012 16:59:30 -0600

Hi,

Just to check, when you run Cygwin are you starting the X server?

On Tue, Jul 24, 2012 at 12:56 PM, Mickey Richards <mickey18385.gmail.com> wrote:
> 1. Is it only the AmberTools 1.5 version of xleap that will work for
> Windows/Cygwin?

It is recommended that you upgrade to the latest version of AmberTools
(12, http://ambermd.org/#AmberTools) as there are many many
improvements and bug fixes over older versions; I can confirm that at
least AT12 xleap works for me using cygwin under Win7 x64.

>
> 2. Can I use AmberTools 1.5 with Amber10 to set up simulations using
> PMEMD and explicit solvation?

You can use Amber10 to run simulations and AmberTools to analyze them.
AmberTools12 can be installed alongside Amber10; see this post from J.
Swails (http://jswails.wikidot.com/installing-ambertools-12-and-older-amber)
for some helpful hints.

-Dan

>
> Thanks in advance for any advice!
>
> --Mickey Richards
> University of Alberta
>
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-- 
-------------------------
Daniel R. Roe, PhD
Lab Specialist
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)
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Received on Tue Jul 24 2012 - 16:00:03 PDT
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