Re: [AMBER] About the reproducibility of pmemd

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 19 May 2014 11:23:46 -0700

What on earth do you mean by the term "orbit" - and what is your
definition of 'reproduce'? You need to provide substantially more
information for us to be able to help you here.



On 5/19/14, 5:01 AM, "Val Yu" <valyu.mail.nankai.edu.cn> wrote:

>I'm using Amber 9. I found that pmemd cannot reproduce orbit from the same
>initial conditions, while sander can. Have anyone found the same problem
>before?
>
>
>
>Yu Qinhong
>
>Department of Chemical Biology
>
>Nankai University, Tianjin, China
>
>
>
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 19 2014 - 12:30:03 PDT
Custom Search