Sergi Ruiz

Hi Sam, For what you explain, it looks like you wrongly defined the cavity. The sd file you use for defining it should be placed in the binding site, or you can define the cavity based on a set of coordinates. You can take a look at the cavity to confirm that: you can see how to do it here http://rdock.sourceforge.net/docking-in-3-steps/ (section 2). We cant help with just the prm file, but please take a look and let me know! Cheers, Sergio On Sat, 27 Jun 2020, 05:13 sam, sabm@users.sourceforge.net...