<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><div>Hey,.. Thank you for the script. I will keep in mind what you said next time.<br>Samrat Pal<br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: arial,helvetica,sans-serif; font-size: 13px;"><font size="2" face="Tahoma"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Justin A. Lemkul <jalemkul@vt.edu><br><b><span style="font-weight: bold;">To:</span></b> Discussion list for GROMACS users <gmx-users@gromacs.org><br><b><span style="font-weight: bold;">Sent:</span></b> Fri, July 16, 2010 5:18:44 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] Need For a Script<br></font><br>
<br><br>Samrat Pal wrote:<br>> Dear All,<br>> I am a new GROMACS user. I have been able to solvate a protein in a water box and also to simulate it and unfold it by heating it. But I have facing problem with the script of AFM pulling. I want to unfold a protein by pulling the two ends of the protein. Can anyone give me a full script for that so that I can standardise my protocol? Suggestion is urgent.<br><br><span><a target="_blank" href="http://www.gromacs.org/Documentation/Tutorials#Umbrella_Sampling">http://www.gromacs.org/Documentation/Tutorials#Umbrella_Sampling</a></span><br><br>Also, as a bit of advice, don't use the word "urgent" when asking for free help. You're hoping someone else (who is busy) will find time to solve an issue for you.<br><br>-Justin<br><br>> Thanks in advance<br>> Samrat Pal<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]<a target="_blank" href="http://vt.edu">vt.edu</a> | (540) 231-9080<br><span><a target="_blank" href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a></span><br><br>========================================<br>-- gmx-users mailing list <a ymailto="mailto:gmx-users@gromacs.org" href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><span><a target="_blank" href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a></span><br><span>Please search the archive at <a target="_blank" href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!</span><br>Please don't post (un)subscribe requests to the list. Use the www interface or send it to <a
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