Thanks for pointing that (charmm gui) out - in fact I’ve been there. Problem is this is a web server, i.e., basically a black box, and the doc is not detailed enough to answer my question (cmap implementation in gmx)
Thanks for pointing that (charmm gui) out - in fact I’ve been there. Problem is this is a web server, i.e., basically a black box, and the doc is not detailed enough to answer my question (cmap implementation in gmx)