VMD-L Mailing List

From: Albert (mailmd2011_at_gmail.com)
Date: Wed Dec 19 2012 - 02:52:30 CST

hello:

  I found a problem of the selection in VMD, I would like to export the
solvent molecule within 4 of resid 289 for each frame and I use the
following syntax for this purpose:

water and within 4 of resid 289

When I open this exported file in pymol, I found that there are water
molecules within 4 of resid 289 in the first frame instead of each own
frame, it is some kind of the movement of the water molecule in the
first frame within 4 of resid 289......I am just wondering, how can I
export the water molecules for each frame within 4 of resid 289?

THX
Albert