Hi David<br><br>Can you tell me which journal, volume and page number. I am not able to acess the link you have given. any help is highly appreciated<br><br>Regards<br>Vinoth<br><br><div class="gmail_quote">2010/12/9 David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im">On 2010-12-09 09.20, gromacs wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi, experts,<br>
I'd like to calculate the surface tension at water-air interface using<br>
Gromacs.<br>
which ensemble should i choose?<br>
when i run simulation, .mdp how can i select p-coupling?<br>
whether should i use p-coupling?<br>
</blockquote></div>
what do you think will happen when you use P coupling?<br>
<br>
You may have a look in in<br>
<a href="http://pubs.acs.org/cgi-bin/download.pl?la053284f/X8nx" target="_blank">http://pubs.acs.org/cgi-bin/download.pl?la053284f/X8nx</a><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
I can creat a air-water-air structure (.gro)<br>
Thanks?<br>
<br>
<br>
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-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.<br>
<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a> <a href="http://folding.bmc.uu.se" target="_blank">http://folding.bmc.uu.se</a><br><font color="#888888">
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