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<div class="moz-cite-prefix">Hi,<br>
<br>
I don't have the original paper at hand and I don't understand
what is meant with "negative B parameter". But the b coefficient
has to be positive. Also the formula's for b in the if and else
branch are consistent. I implemented this integrator and tested it
extensively. It's highly unlikely that something is wrong here.<br>
<br>
Cheers,<br>
<br>
Berk<br>
<br>
On 12/10/2013 12:09 AM, Mark Abraham wrote:<br>
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cite="mid:CAMNuMATr4o=G6eNbXDh01-6qdxPQUoj35kV_T3j1BsYwYbu8qg@mail.gmail.com"
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<div dir="ltr">Hi,
<div><br>
</div>
<div>Thanks for the interest - I guess nobody who knows has the
time right now to look into it. Perhaps you could try the
change you suggest on a toy system and see for yourself which
version of the integrator samples appropriately, and report
back?</div>
<div><br>
</div>
<div>Mark</div>
</div>
<div class="gmail_extra"><br>
<br>
<div class="gmail_quote">On Mon, Dec 9, 2013 at 7:56 PM,
huapingli <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:lihuaping@tju.edu.cn" target="_blank">lihuaping@tju.edu.cn</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Is there
anybody noticing this quention?<br>
<br>
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View this message in context: <a moz-do-not-send="true"
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target="_blank">http://gromacs.5086.x6.nabble.com/The-do-update-sd2-function-for-Langevin-dynamics-tp5012922p5013206.html</a><br>
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