subject:"\[gmx\-users\] extraction of PDB from clusters.pdb"

Re: [gmx-users] extraction of PDB from clusters.pdb

2013-07-17 Thread HANNIBAL LECTER

You can do it by using simple shell scripting On Jul 17, 2013 12:58 AM, Shine A shin...@iisertvm.ac.in wrote: Sir, Using g_cluster I clustered snapshots in md trajectory using the command as follows g_cluster -s sd_7.tpr -f traj7.trr -dist rmsd-distribution.xvg -o clusters.xpm -sz

Re: [gmx-users] extraction of PDB from clusters.pdb

2013-07-17 Thread pooja_gupta

try trjconv to extract the structures pooja You can do it by using simple shell scripting On Jul 17, 2013 12:58 AM, Shine A shin...@iisertvm.ac.in wrote: Sir, Using g_cluster I clustered snapshots in md trajectory using the command as follows g_cluster -s sd_7.tpr -f traj7.trr

[gmx-users] extraction of PDB from clusters.pdb

2013-07-16 Thread Shine A

Sir, Using g_cluster I clustered snapshots in md trajectory using the command as follows g_cluster -s sd_7.tpr -f traj7.trr -dist rmsd-distribution.xvg -o clusters.xpm -sz cluster-sizes.xvg -tr cluster-transitions.xpm -ntr cluster-transitions.xvg -clid cluster-id-over-time.xvg -cl