NAMD support for MNDO semi-empirical model

From: Chandra Ramananjara (mozart20d_at_yahoo.com)
Date: Mon May 15 2006 - 10:34:07 CDT

• Next message: Shirley Li: "pair interaction"
• Previous message: Sandeep Agrawal: "Cannot open file 'pair.pdb'"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi all,
  I noticed that, apart from the CHARMM force-field, NAMD also supports OPLS force field. I have a molecule whose partial charges I calculated from the MNDO semi-empirical Hamiltonian model. I was wondering if NAMD also supports MNDO model, I know that AMBER does.
   
  Thanks,
  Chandra R.

                
---------------------------------
Blab-away for as little as 1¢/min. Make PC-to-Phone Calls using Yahoo! Messenger with Voice.

• Next message: Shirley Li: "pair interaction"
• Previous message: Sandeep Agrawal: "Cannot open file 'pair.pdb'"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:37 CST