subject:"\[gmx\-users\] g_mindist \- reg"

Re: [gmx-users] g_mindist - reg

2012-09-03 Thread Justin Lemkul

On 9/3/12 2:04 AM, Raj wrote: hi all, I would like to measure the hydrophobic interaction of the ligand against the protein during the simulation . From the forum I learnt g_mindist will be the better tool. But when i used the command g_mindist -f traj.xtc -s topol.tpr -n index.ndx -on numco

[gmx-users] g_mindist - reg

2012-09-02 Thread Raj

hi all, I would like to measure the hydrophobic interaction of the ligand against the protein during the simulation . From the forum I learnt g_mindist will be the better tool. But when i used the command g_mindist -f traj.xtc -s topol.tpr -n index.ndx -on numcont.xvg -group and selected protein