Re: [gmx-users] Stuck --> unstuck ...

Stéphane Téletchéa wrote: David van der Spoel a écrit : Stéphane Téletchéa wrote: I've found out where the problem lie (at least one of ...). Small reminder: i've tried to setup a system consisting of HIV protease + one ligand on a water box. I used the excellent protocol from John E. Kerrig

Re: [gmx-users] Stuck --> unstuck ...

David van der Spoel a écrit : Stéphane Téletchéa wrote: I've found out where the problem lie (at least one of ...). Small reminder: i've tried to setup a system consisting of HIV protease + one ligand on a water box. I used the excellent protocol from John E. Kerrigan (Drug-enzyme tutorial) i

Re: [gmx-users] Stuck --> unstuck ...

Stéphane Téletchéa wrote: I've found out where the problem lie (at least one of ...). Small reminder: i've tried to setup a system consisting of HIV protease + one ligand on a water box. I used the excellent protocol from John E. Kerrigan (Drug-enzyme tutorial) in order to set up my simulation

[gmx-users] Stuck --> unstuck ...

I've found out where the problem lie (at least one of ...). Small reminder: i've tried to setup a system consisting of HIV protease + one ligand on a water box. I used the excellent protocol from John E. Kerrigan (Drug-enzyme tutorial) in order to set up my simulation and encountered some prob