AMBER Archive (2008)

Subject: Re: AMBER: Which is best temperature controlling method

From: Mark Abraham (Mark.Abraham_at_anu.edu.au)
Date: Wed May 28 2008 - 02:02:14 CDT

Reena ..... wrote:
> hello,
>
> I am too new to amber. Just read your query and answer to it by Dr.
> Case. I didnt understand the last part of the answer
> " You are right to be worried about the random part: be sure to select a new
> random number seed for each restart."
> New random no. seed for each restart????? what does this mean?
> Please elaborate more on it.
>
> regards
>
> A curious student.....:)

Some background reading (even Wikipedia!) on Langevin dynamics and other
T-coupling schemes would seem to be a good idea :-) It's a good idea to
try to find out some background information for yourself, before asking
other people to donate their time to you :-)

Mark
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