subject:"\[gmx\-users\] g_select \-select"

Re: [gmx-users] g_select -select

2012-02-15 Thread Mark Abraham

On 16/02/2012 6:15 AM, Paymon Pirzadeh wrote: Hello, I am trying to make an dynamic index file of the hydration shell of my protein (hopefully using it with other gromacs tools). I am considering up to 10A from protein as the distance needed for my selection. I am using g_select with the followin

[gmx-users] g_select -select

2012-02-15 Thread Paymon Pirzadeh

Hello, I am trying to make an dynamic index file of the hydration shell of my protein (hopefully using it with other gromacs tools). I am considering up to 10A from protein as the distance needed for my selection. I am using g_select with the following format: g_select -f traj.xtc -s traj.tpr -on