VMD-L Mailing List

From: 김민재 (kjh950429_at_gmail.com)
Date: Tue Feb 19 2019 - 08:44:29 CST

Hi all

I am currently attempting to run a MD simulation on 1CA2, and I created a
water box around carbonic anhydrase for a PME. When I used vmd to
neutralize this system the program only added 2 Na+ ions. I was curious
about why the system would only have a net charge of -2 since 1CA2 has 31
acidic and 41 basic residues.
In case I got the number of acidic and basic residues wrong, is there a
function in VMD that counts them for you?

Thanks