Re: [gmx-users] g_sgangle and P atoms on the DNA molecule.

2013-05-14 Thread Justin Lemkul
On 5/14/13 10:25 AM, anna_grom...@libero.it wrote: Dear all, in referring to the described probelm with g_sgagle results, I would like to add the following: I made an index file like this: 0 System : 762 atoms 1 DNA : 762 atoms 2 a_412_444 : 2 at

[gmx-users] g_sgangle and P atoms on the DNA molecule.

2013-05-14 Thread anna_grom...@libero.it
Dear all, in referring to the described probelm with g_sgagle results, I would like to add the following: I made an index file like this: 0 System : 762 atoms 1 DNA : 762 atoms 2 a_412_444 : 2 atoms 3 a_444_474 : 2 atoms with:g_sgangle

[gmx-users] g_sgangle and P atoms on the DNA molecule.

2013-05-14 Thread anna_grom...@libero.it
Dear users and experts, my question is about the results given by the program g_sgangle, when I try to calculate the angles between the two vectors defined by 3 consecutive P atoms, on the DNA structure (a single gro structure), the result is: @title "Angle between a_728_695 and a_695_662