VMD-L Mailing List

From: Olya Kravchenko (ovkrav_at_gmail.com)
Date: Fri Apr 20 2018 - 12:33:14 CDT

Hi all,

my system is a protein + one or several Zn ions in a water cube, I want to
add NaCl and set different concentrations of NaCl, say 0.15 and 0.5 for two
separate systems.I use autoionize plugin for that. I place Zn ions first,
save it, then take the pdb/psf files containing protein + Zn ions in a
water cube and autoionize it using option "Neutralize and set concentration
of NaCl to 0.15mol/L". This erases my Zn ions! Am I missing something
simple?

Thanks!!

Olga