[gmx-users] g_rotacf, order parameter S2 problem
> To: gmx-users@gromacs.org
> Date: Wed, 14 Jan 2009 12:23:11 +0100
>
> On Sun, 11 Jan 2009 12:50:00 +0800
> Dechang Li wrote:
> > Dear all,
> >
> >I used g_rotacf to calculate the order parameter (S2, N-H bond in
On Sun, 11 Jan 2009 12:50:00 +0800
Dechang Li wrote:
Dear all,
I used g_rotacf to calculate the order parameter (S2, N-H bond in
main chian). Thanks to Xavier Periole's advice, I make the index file
and obtained some results. However, some results I got made me puzzling
that the order par
Dechang Li wrote:
> Dear all,
>
> I used g_rotacf to calculate the order parameter (S2, N-H bond in
> main chian). Thanks to Xavier Periole's advice, I make the index file
> and obtained some results. However, some results I got made me puzzling
> that the order parameter is negative! Here
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