<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Chase, <div class=""><br class=""></div><div class="">IMHO there are two ways to do that: </div><div class="">(i) use THERMOSTAT/DEFINE_REGION to thermostat your surface. However, in that </div><div class="">case you have to specify SUBSYS/VELOCITIES to assign the velocities of your </div><div class="">molecule by hand or restarting them … </div><div class="">(ii) Use MD/THERMAL_REGION/DEFINE_REGION, to define the surface AND your </div><div class="">molecule, as well as their respective temeratures. However, this way you can only </div><div class="">specify LAGEVIN for the surface and NVE for the molecule, which should be good enough. </div><div class=""><br class=""></div><div class="">Cheers, </div><div class="">Thomas</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">Am 05.01.2020 um 16:50 schrieb MD Simulation <<a href="mailto:mdsimula...@gmail.com" class="">mdsimula...@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hi,<div class=""><br class=""></div><div class="">I need to run a simulation of a molecule being shot at a surface. I'd like to do two things: 1) thermostat the surface and 2) assign a specific velocity to the small molecule.</div><div class=""><br class=""></div><div class="">I see in the MD/THERMOSTAT section, there is a keyword REGION...is this what I would want to do?</div><div class=""><br class=""></div><div class="">If anyone has some ideas, I would appreciate it! </div><div class=""><br class=""></div><div class="">Thanks for the help,</div><div class="">Chase</div></div><div class=""><br class="webkit-block-placeholder"></div>
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