VMD-L Mailing List

From: Laura Lopez Munoz (laura.lopez_at_monash.edu)
Date: Fri May 31 2013 - 01:17:12 CDT

Hi!
I want to save the coordinates, from a particular frame (frame 500), of the
following selection from my MD (where chain B correspond to the ligand):
(water and same residue as within 4 of chain B) or protein or chain B

I used to be able to save these coordinates but now it doesn't work. When I
open the pdb file of the saved coordinates, the waters are not around the
ligand, they are far away (as they would be if you don't select the option
"select update every frame")

Could you be so kind to help me?
Thank you very much!
Cheers,
Laura