Re: [gmx-users] g_select dynamic indices

Yao Yao wrote: Hi Justin, Thanks for your hints. I feel the string in g_select is pretty much like tck/tl in VMD. However I have not figured out the way to select a customized group defined in .ndx file. There's one example in the help text that is almost exactly what you want, is it n

[gmx-users] g_select dynamic indices

PM Subject: Re: [gmx-users] g_select dynamic indices Yao Yao wrote: > Hi Gmxers, > > I used g_dist to find all water molecules within 5 Angstrom of a protein in a > trajectory with a little surprise that gromacs directly prints out those > water on my screen rather than in an o

Re: [gmx-users] g_select dynamic indices

Yao Yao wrote: Hi Gmxers, I used g_dist to find all water molecules within 5 Angstrom of a protein in a trajectory with a little surprise that gromacs directly prints out those water on my screen rather than in an output file. According to g_dist -h, that's what you should expect :) Since

[gmx-users] g_select dynamic indices

Hi Gmxers, I used g_dist to find all water molecules within 5 Angstrom of a protein in a trajectory with a little surprise that gromacs directly prints out those water on my screen rather than in an output file. Since in each frame, those water molecules are not the same, I realize I need to ma