Before do Steepest with water, we first do Steepest Descents in vacuo, if such way will better to only do Steepest with water ? Thank you very much! maggin -- View this message in context: http://gromacs.5086.x6.nabble.com/Steepest-Descents-in-vacuo-tp5009143.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com.