VMD-L Mailing List
From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Mon Dec 30 2019 - 10:16:46 CST
- Next message: Francesco Pietra: "Fwd: RMSD pluging error"
- Previous message: Reinke.Patrick_at_mh-hannover.de: "Wrong net charge after patch"
- Next in thread: Francesco Pietra: "Fwd: RMSD pluging error"
- Reply: Francesco Pietra: "Fwd: RMSD pluging error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Working on remote visualization with last vmd release, I have loaded
initial psf/pdb for a small molecule (molecule 0) in TIP3P and psf/pdb
after namd MD (molecule 1). I used various selections to get rmsd for the
small molecule
resname xxx
resid yyy
segname XXX
index 1 to 31
in all cases, backbone only, Top, align
error
measure fit: no atoms selected while executing "measure fit $sel1 $sel2". I
can't realize why no selection (I used successfully this plugin in the past
and don't remember whether there is a trick)
thanks for advice
francesco pieytra
- Next message: Francesco Pietra: "Fwd: RMSD pluging error"
- Previous message: Reinke.Patrick_at_mh-hannover.de: "Wrong net charge after patch"
- Next in thread: Francesco Pietra: "Fwd: RMSD pluging error"
- Reply: Francesco Pietra: "Fwd: RMSD pluging error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]