VMD-L Mailing List

From: Mani Kandan (manikandand5110_at_gmail.com)
Date: Tue May 22 2018 - 12:44:47 CDT

 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