Polarizability Question!

From: Sai Kumar Ramadugu (sramadugu_at_gmail.com)
Date: Wed Feb 20 2013 - 11:46:06 CST

• Next message: Narasimhan LOGANATHAN: "Collective variable data analysis using WHAM"
• Previous message: Jérôme Hénin: "Re: Constant volume energy minimization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hello NAMD-Users,

I want to simulate a system with protein, ligand and water.
Can I make only the ligand polarizable and use the non-polairzable force
fields to protein and water?
Can this modular approach be used in NAMD?

Thanks for any information on the topic.

Regards
Sai

• Next message: Narasimhan LOGANATHAN: "Collective variable data analysis using WHAM"
• Previous message: Jérôme Hénin: "Re: Constant volume energy minimization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:22:58 CST