VMD-L Mailing List

From: hamid mosaddeghi (hamid592004m_at_yahoo.com)
Date: Wed Aug 31 2011 - 03:12:47 CDT

Dear all   I counted Hbond from VMD for SPC/E water model in normal condition , I got 2.56 Hbond per/molcule but more paper reported 3.~ 3.3 Hbond per/molcule why?   I used Cutoff angle 30 and cutoff distance 3.5 A from literatures.   Best regards   Hamid Mosaddeghi   Phd Student Of Physical Chemistry