AW: [gmx-users] Have read the manual => How to calculate dihedral angle??????

2008-07-02 Thread serdar durdagi
Why you don't want to use VMD program? It's very easy to get dihedral angles from there.   serdar --- Chih-Ying Lin <[EMAIL PROTECTED]> schrieb am Mi, 2.7.2008: Von: Chih-Ying Lin <[EMAIL PROTECTED]> Betreff: [gmx-users] Have read the manual => How to calculate dihe

Re: [gmx-users] Have read the manual => How to calculate dihedral angle??????

2008-07-02 Thread Y. U. Sasidhar
what does the file angle.ndx mean? A dihedral angle is specified by 4 atoms; I suppose the index file should contain list of 4 atoms corresponding to dihedral angles you want to calculate. Hope this helps. Sasidhar ___ gmx-users mailing listgm

[gmx-users] Have read the manual => How to calculate dihedral angle??????

2008-07-01 Thread Chih-Ying Lin
HI I have read the manual but the thing is that I could not get the answers from the manuals. So, I repeatly ask the same questions and if anyone could give me the exact answers. Thanks a lot. Lin I use mk_angndx to produce angle.ndx then, enter g_angle -od angdist.xvg -ov anga