Re: [AMBER] How to define reaction coordinate in Umbrella sampeling

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Sun, 30 Jun 2013 10:32:19 +0800 (SGT)

Sorry to ask a silly question, I already go
through the manual and it is clearly explain there.
 
With best regards
 
Sindrila
 


________________________________
 From: David A Case <case.biomaps.rutgers.edu>
To: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Saturday, 29 June 2013 6:38 PM
Subject: Re: [AMBER] How to define reaction coordinate in Umbrella sampeling
 

On Sat, Jun 29, 2013, Sindrila Dutta banik wrote:
>       
> It is not clear to me what is the difference in sander and pmemd? 

Have you skimmed through the Amber manuals?  The "Getting started" section
discusses the various programs and what they do.  The beginning of the pmemd
chapter describes the differences between sander and pmemd in more detail.

If you have specific questions, you can ask them here.  But the mailing list
is an adjunct to the manuals and tutorials, not a substitute for them.

....dac


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Received on Sat Jun 29 2013 - 20:00:03 PDT
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