VMD-L Mailing List

From: divya nayar (divya.alchemist_at_gmail.com)
Date: Thu Jun 23 2011 - 06:12:35 CDT

Hi
How can I calculate the volume of hydration shells of a protein solvated in
water using VMD or Tcl scripting?
Can anyone suggest me a way or some package to do so. I have used CHARMM
force filed for simulations with TIP3P water.

Thanks
Divya