<div dir="ltr"><br><br><div class="gmail_quote">2008/8/4 Vitaly Chaban <span dir="ltr"><<a href="mailto:chaban@univer.kharkov.ua">chaban@univer.kharkov.ua</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Hi Alexandr,<br>
<br>
Have you thoroughly examined this thread as for using umbrella sampling:<br>
<a href="http://www.gromacs.org/pipermail/gmx-users/2005-December/018615.html" target="_blank">http://www.gromacs.org/pipermail/gmx-users/2005-December/018615.html</a> ?<br>
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--<br>
Vitaly V. Chaban<br>
School of Chemistry<br>
National University of Kharkiv<br>
Svoboda sq., 4, Kharkiv 61077, Ukraine<br>
email: <a href="mailto:chaban@univer.kharkov.ua">chaban@univer.kharkov.ua</a><br>
skype: vvchaban<br>
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<br>
>Hi all,<br>
><br>
>I have a big broblem, I want use Umbrella Sampling to constrain distance<br>
>between two groups of atoms, but after reading manual I don't understant how<br>
>to do it. In manual I found information only about fixing coordinates. Can<br>
>someone tell me how to do it.<br>
><br>
>Sorry for my bad english.<br>
</div></div></blockquote></div>Yes, I read this thread, but Oliver use umbrella only in one direction. I want use umbrella potential independed of x,y,z coordinates separately, depended only of distance between centers of mass of particles.<br>
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