Re: [gmx-users] Steepest Descents in vacuo

2013-06-14 Thread Justin Lemkul
On 6/14/13 3:33 AM, maggin wrote: Before do Steepest with water, we first do Steepest Descents in vacuo, if such way will better to only do Steepest with water ? Steepest descents is a fairly robust method, and as such, I rarely (if ever) do in vacuo minimization before minimizing my who

[gmx-users] Steepest Descents in vacuo

2013-06-14 Thread maggin
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 U