Re: [gmx-users] Info on the "Ellipticity at 222 nm" provided by g_helix

2006-05-03 Thread David van der Spoel
Afonso Duarte wrote: Dear All, I am a newbie using GROMACS and I am just going throu my first sims. I have one question regarding the output of g_helix. Using this command get a value for the "Ellipticity at 222 nm according to Hirst and Brooks" however this value is in nm (per time frame) an

[gmx-users] Info on the "Ellipticity at 222 nm" provided by g_helix

2006-05-03 Thread Afonso Duarte
Dear All, I am a newbie using GROMACS and I am just going throu my first sims. I have one question regarding the output of g_helix. Using this command get a value for the "Ellipticity at 222 nm according to Hirst and Brooks" however this value is in nm (per time frame) and for 100% a-helices it sh