Hi, Justin, If I use Pymol to set up a mutation of 1dx0.pdb, If it best do Steepest Descents in vacuo first ? Thank you very much! maggin -- View this message in context: http://gromacs.5086.x6.nabble.com/Steepest-Descents-in-vacuo-tp5009143p5009153.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com.