Re: [gmx-users] calculation of the order parameter S2

On Sun, 04 Jan 2009 13:38:33 +1100 Mark Abraham mark.abra...@anu.edu.au wrote: Dechang Li wrote: Dear all, I want to use g_rotacf to calculate the order parameter(S2, N-H bond in main chian). The tool g_rotacf needs an index.ndx file that contains two vectors. g_rotacf wants the index

[gmx-users] calculation of the order parameter S2

Dear all, I want to use g_rotacf to calculate the order parameter(S2, N-H bond in main chian). The tool g_rotacf needs an index.ndx file that contains two vectors. How can I make the index.ndx file? Can I use the tool make_ndx to do this? Or I need to write the file manually? Best

Re: [gmx-users] calculation of the order parameter S2

Dechang Li wrote: Dear all, I want to use g_rotacf to calculate the order parameter(S2, N-H bond in main chian). The tool g_rotacf needs an index.ndx file that contains two vectors. How can I make the index.ndx file? Can I use the tool make_ndx to do this? Or I need to write the