VMD-L Mailing List
From: politr_at_huji.ac.il
Date: Thu Apr 24 2008 - 08:22:23 CDT
- Next message: Axel Kohlmeyer: "Re: problem with "within" command of VMD"
- Previous message: Axel Kohlmeyer: "Re: resolution screen in Linux"
- Next in thread: Axel Kohlmeyer: "Re: problem with "within" command of VMD"
- Reply: Axel Kohlmeyer: "Re: problem with "within" command of VMD"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Dear users and developers,
I was working with perl script that finds the closest distance between
each water molecule (OH2) and my protein. The script is checking all
atoms of my protein. When I tried to use the command WITHIN OF ( set
close_wat [atomselect top "name OH2 and within $r of (protein or resname
ACE)"] ) I got the different number of water molecules at some
predefined distance ($r). I got less water molecules by using VMD
command than by my perl script. In addition, the distances are not the
same by two methods for the same atoms.
Do someone has an explanation to this problem.
Thanks
Regina
- Next message: Axel Kohlmeyer: "Re: problem with "within" command of VMD"
- Previous message: Axel Kohlmeyer: "Re: resolution screen in Linux"
- Next in thread: Axel Kohlmeyer: "Re: problem with "within" command of VMD"
- Reply: Axel Kohlmeyer: "Re: problem with "within" command of VMD"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]