From: Kayode Karunwi (k.karunwi_at_gmail.com)
Date: Wed May 23 2007 - 16:05:01 CDT
I'm new to using namd and tried practicing on some small pdb file, alanine.
This is most likely easy for everyone on this forum.
How do you solvate this molecule and optimize it's energy so it's enclosed
in a water sphere? Attached are the files I modified but feel free to start
with the original pdb file, run through and send back to me at
Thanks in anticipation of your help.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:43 CST