turn off intermolecular interaction

From: milton sonoda (mtsonoda_at_gmail.com)
Date: Mon Jun 25 2007 - 11:52:28 CDT

• Next message: Jonathan Lee: "Re: Re£º Re: heat diffusion"
• Previous message: maria goranovic: "Re: Changing loop to helix: restraining about 20 dihedral angles"
• Next in thread: JC Gumbart: "Re: turn off intermolecular interaction"
• Reply: JC Gumbart: "Re: turn off intermolecular interaction"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear NAMD users

I'm planning to make MD simulations of binary solutions.
Let's say the solutions are composed by species A and B.
Is it possible to tune or turn off A-B interspecies intermolecular
interactions leaving the intra species intermolecular interaction
A-A and B-B intact?
Moreover, is it possible to do that separately for van der Waals
or electrostatic interactions?

Thx in advance
Milton Taidi Sonoda

• Next message: Jonathan Lee: "Re: Re£º Re: heat diffusion"
• Previous message: maria goranovic: "Re: Changing loop to helix: restraining about 20 dihedral angles"
• Next in thread: JC Gumbart: "Re: turn off intermolecular interaction"
• Reply: JC Gumbart: "Re: turn off intermolecular interaction"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:53 CST