<div dir="ltr">Hello,<br><br>I am studying the diffusion of a small molecule through a cyclic peptide based nanotube using pull code, here is my code for pulling,<br><br>pull = umbrella<br>pull_geometry = position <br>
pull_vec1 = 0 0 1<br>pull_start = yes <br>pull_ngroups = 1<br>pull_group0 = Protein <br>pull_group1 = FLU<br>pull_rate1 = 0.005 <br>pull_k1 = 1000 <br><br>my reference group is a nanotube and pulling group is a small molecule. In this study, should I have to apply position restraint for the protein molecules? <br>
<br>Regards,<br>Vijay.<br></div>