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<br>too eager to send an email.. <br>I think playing with editconf with princ flag should do the trick .. <br><br>sorry folks and thanks for the help !! <br><br><hr id="stopSpelling">From: xrules@live.com<br>To: gmx-users@gromacs.org<br>Subject: RE: [gmx-users] AFM pulling simulations<br>Date: Tue, 22 Mar 2011 15:47:41 +0000<br><br>
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Thanks Justin, <br><br> That is pretty much the only tutorial one can found.<br> 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).<br><br><br><br>> Date: Tue, 22 Mar 2011 11:15:54 -0400<br>> From: jalemkul@vt.edu<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] AFM pulling simulations<br>> <br>> <br>> <br>> X Rules wrote:<br>> > Hello All,<br>> > <br>> > I am looking for a very simple (step-by-step) tutorial on AFM pulling <br>> > simulations (constant force/ constant velocity) with gromacs.<br>> > <br>> > Can someone point me to a simple tutorial to perform these simulations <br>> > with gromacs?<br>> > <br>> > Thanks,<br>> > <br>> <br>> http://www.gromacs.org/Documentation/Tutorials#Pull_Code_and_Umbrella_Sampling<br>> <br>> -Justin<br>> <br>> -- <br>> ========================================<br>> <br>> Justin A. Lemkul<br>> Ph.D. Candidate<br>> ICTAS Doctoral Scholar<br>> MILES-IGERT Trainee<br>> Department of Biochemistry<br>> Virginia Tech<br>> Blacksburg, VA<br>> jalemkul[at]vt.edu | (540) 231-9080<br>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br>> <br>> ========================================<br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br>
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