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Hello,<br>I am trying to obtain the PMF from Umbrella Sampling of the process of separating two monomers of a dimer.<br>I am following the tutorial <br>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/05_pull.html<br>and I have a doubt:<br>In this tutorial the generation of configurations is done using a .mdp file for pulling one chain from another, but is it possible to generate the configurations for Umbrella Sampling "by hand", I mean, changing the z coordinate of the monomer I want to move, then solvating and then minimizing these configurations? Is there any problem with this protocol for the obtaining of the configurations?<br>Thanks a lot for your help.<br>Best wishes,<br><br>Dr. Rebeca Garcia<br>Santiago de Compostela University<br>Spain<br> </div></body>
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