I am pretty sure the answer to this is "No", it's not available.
Michael Shirts, who had implemented Andersen and the required
integrator changes into 3.1.4, is, I think, working on incorporating
those in the latest CVS version but it will probably take him a while.
I don't know why he would be doing this if it were already
implemented...<br>
<br>
David<br>
<br><br><div><span class="gmail_quote">On 12/8/05, <b class="gmail_sendername">David van der Spoel</b> <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Sanghyun Park wrote:<br>> Hi,<br>><br>> I noticed that in ver 3.3 there is an option called 'Andersen_seed'.<br>> Does it mean that Andersen thermostat is implemented in version 3.3 ?<br>> If so, how do I use it?
<br>Don't know.<br>><br>> On a related note, is there any plan to update the online or PDF manual<br>> for ver 3.3?<br>><br>Yes. We'll try to do it all in one go when we release 3.3.1<br><br><br>> Thank you very much,
<br>> Sanghyun<br>><br>> _______________________________________________<br>> gmx-users mailing list<br>> <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>> <a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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</a>.<br><br><br>--<br>David.<br>________________________________________________________________________<br>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<br>Dept. of Cell and Molecular Biology, Uppsala University.
<br>Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>phone: 46 18 471 4205 fax: 46 18 511 755<br><a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a> <a href="mailto:spoel@gromacs.org">spoel@gromacs.org
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