[gmx-users] Re: Martini with PME, temp two low (ABEL Stephane 175950)

Xavier I have followed your suggestion and did a longer NPT equilibration with smaller dt and ntlist values and It works. The Energy and Temp reach to stables values as i want. thank you again for your help Stephane -- Message: 2 Date: Thu, 25 Apr 2013

Re: [gmx-users] Re: Martini with PME, temp two low (ABEL Stephane 175950)

Good. Note however that we do get the right temperature with a dt=20fs with Martini so you energy leak might be in the cutoff scheme or the system is really badly equilibrated. On Apr 25, 2013, at 18:23, ABEL Stephane 175950 stephane.a...@cea.fr wrote: Xavier I have followed your