Re: [gmx-users] how to use gromacs for steered molecular dynamics(SMD)

[Nilov Dmitri]

See AFM pulling description in manual. 
AFM means "Atomic force microscopy".
That`s what you neeed).

-----Original Message-----
From: "huifang liu" <huifangliu1985 at gmail.com>
To: gmx-users at gromacs.org
Date: Thu, 9 Oct 2008 14:09:05 +0800
Subject: [gmx-users] how to use gromacs for steered molecular dynamics(SMD)

> 
> Hi, gmx-users
> 
> i want to use gromacs to pull a small ligand through a protein channel and
> study the interaction between the ligand and the protein during this
> process. However, i have not found out any useful information about steered
> molecular dynamics(SMD) using Gromacs software.
> 
> What are the differences between SMD and general MD in using Gromacs and how
> to set up the related parameters?
> 
> Thanks a lot.
> 
> Dove.
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 

Nilov Dmitri