[gmx-users] AFM pulling simulations
xrules at live.com
Tue Mar 22 16:55:25 CET 2011
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
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,
> 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
> gmx-users mailing list gmx-users at gromacs.org
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