VMD-L Mailing List

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Mon Jun 23 2003 - 16:16:02 CDT

Hi,

I am trying to set the K+ and Cl- atoms fixed in my structure. When I
generate the representations I use
resname "K+.*" and resname "Cl-.*" respectively
However in the log file when I use

mol new {23KClSpmBox.pdb} type {pdb} first 0 last -1 stride 1 waitfor 1
set all [atomselect top all]
set fix1 [atomselect top "resname "K+.*""]
set fix2 [atomselect top "resname "Cl-.*""]
$all set beta 0
$fix1 set beta 1
$fix2 set beta 1
$all writepdb fixKCl_spm.pdb
quit

Could you help me figure out what is the correct way to define the residue
name for K+ and Cl-?

Thank you,
Ioana