VMD-L Mailing List

From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Tue May 22 2018 - 13:25:25 CDT

Dear Manikandan,

could you please send the information printed to the VMD terminal window
when you used the plugin?

Thank you

Best

João

On Tue, May 22, 2018 at 1:45 PM Mani Kandan <manikandand5110_at_gmail.com>
wrote:

> Hi all,
>
> I had a system of water molecules of number 55605 (Including H1, H2, OH2
> before using the plugin). After adding 260 POT and 260 CLA ions using the
> plugin, the number of water molecules has to be 55085 ( 55605-260-260) but
> it shows 40161. How this possible?
>
> Actually, autoionize plugin replaces water molecules into ions then why I
> am having reduced number of water molecules?
>
>
> With Regards,
>
> MANIKANDAN D
>
> 

-- 
……………………………………………………...
João Vieira Ribeiro
Theoretical and Computational Biophysics Group
Beckman Institute, University of Illinois
jribeiro_at_ks.uiuc.edu
+1 (217) 3005851