[gmx-users] AFM pulling simulations

[X Rules]

too eager to send an email.. 
I think playing with editconf with princ flag should do the trick .. 

sorry folks and thanks for the help !! 

From: xrules at live.com
To: gmx-users at gromacs.org
Subject: RE: [gmx-users] AFM pulling simulations
Date: Tue, 22 Mar 2011 15:47:41 +0000








Thanks Justin, 

 That is pretty much the only tutorial one can found.
 I have one question now, how do I force a particular orientation of my protein during genbox (for example if i need to pull along N->C vector, i need my protein oriented that way, i.e in Z direction for example to later apply the force in that direction).



> Date: Tue, 22 Mar 2011 11:15:54 -0400
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] AFM pulling simulations
> 
> 
> 
> X Rules wrote:
> > Hello All,
> > 
> >  I am looking for a very simple (step-by-step) tutorial on AFM pulling 
> > simulations (constant force/ constant velocity) with gromacs.
> > 
> >  Can someone point me to a simple tutorial to perform these simulations 
> > with gromacs?
> > 
> > Thanks,
> > 
> 
> http://www.gromacs.org/Documentation/Tutorials#Pull_Code_and_Umbrella_Sampling
> 
> -Justin
> 
> -- 
> ========================================
> 
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
> ========================================
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