[gmx-users] g_gyrate -p = the radii of gyration about the principal axes ?

2010-08-16 Thread Chih-Ying Lin
HI What is the math definition of the radii of gyration about the principal axes in Gromacs? I use the command g_gyrate -p For lysozyme , I got = 0.922754 1.22249 1.25603 but in some paper, the authors got = 0.660 0.833 0.991 It is a quite difference. From David = The

Re: [gmx-users] g_gyrate -p = the radii of gyration about the principal axes ?

2010-08-16 Thread David van der Spoel
On 2010-08-16 20.15, Chih-Ying Lin wrote: HI What is the math definition of the radii of gyration about the principal axes in Gromacs? I use the command g_gyrate -p For lysozyme , I got = 0.922754 1.22249 1.25603 but in some paper, the authors got = 0.660 0.833

Re: [gmx-users] g_gyrate -p = the radii of gyration about the principal axes ?

2010-08-15 Thread David van der Spoel
On 2010-08-14 23.49, Chih-Ying Lin wrote: Hi To Calculate the radii of gyration about the principal axes I use the command g_gyrate -p For lysozyme , I got = 0.922754 1.22249 1.25603 but in some paper, the authors got = 0.660 0.833 0.991 It is a quite difference. what is the

[gmx-users] g_gyrate -p = the radii of gyration about the principal axes ?

2010-08-14 Thread Chih-Ying Lin
Hi To Calculate the radii of gyration about the principal axes I use the command g_gyrate -p For lysozyme , I got = 0.922754 1.22249 1.25603 but in some paper, the authors got = 0.660 0.833 0.991 It is a quite difference. what is the definition of the radii of gyration about the

Re: [gmx-users] g_gyrate -p = the radii of gyration about the principal axes ?

2010-08-14 Thread Justin A. Lemkul
Chih-Ying Lin wrote: Hi To Calculate the radii of gyration about the principal axes I use the command g_gyrate -p For lysozyme , I got = 0.922754 1.22249 1.25603 but in some paper, the authors got = 0.660 0.833 0.991 It is a quite difference. Are you specifically trying