<div dir="ltr">Hi,<br><br>But if I want to look at the correlation function for an internal motion of a vector defined between two atoms, in that case whether the vectors are normalized or not are matter I suppose.<br><br>
Also, is it possible to monitor the dipolar correlation between two atoms of a protein ? Its always complaining about the index file. In the index file I mentioned the two atom numbers of interest.<br><br><br>Thanks.<br><br>
<div class="gmail_quote">On Fri, Sep 19, 2008 at 4:32 AM, Vitaly Chaban <span dir="ltr"><<a href="mailto:chaban@univer.kharkov.ua">chaban@univer.kharkov.ua</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="Ih2E3d">> If not how can we obtain the correlation<br>
> function with normalized vectors using gromacs tools ?<br>
<br>
</div>g_rotacf gives the ACF of the angle between two vectors. It is no<br>
difference if your vectors are unit-vectors or not.<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>
tel.: +38-097-8259698<br>
<br>
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