[gmx-users] Coordinates change after minimization

2009-06-20 Thread Ms. Aswathy S
Hi, After minimizing the protein -ligand complex, the co-ordinates have changed drastically.My idea about minimization was the coordinates will have minute changes only. In this case my protein is completely transferring to a new co-ordinates.Is that reasonable.?? Thanks, Aswathy Dept.

Re: [gmx-users] Coordinates change after minimization

2009-06-20 Thread Justin A. Lemkul
Ms. Aswathy S wrote: Hi, After minimizing the protein -ligand complex, the co-ordinates have changed drastically.My idea about minimization was the coordinates will have minute changes only. In this case my protein is completely transferring to a new co-ordinates.Is that reasonable.?? The

Re: [gmx-users] Coordinates change after minimization

2009-06-20 Thread David van der Spoel
Justin A. Lemkul wrote: Ms. Aswathy S wrote: Hi, After minimizing the protein -ligand complex, the co-ordinates have changed drastically.My idea about minimization was the coordinates will have minute changes only. In this case my protein is completely transferring to a new

Re: [gmx-users] Coordinates change after minimization

2009-06-20 Thread XAvier Periole
] Coordinates change after minimization Justin A. Lemkul wrote: Ms. Aswathy S wrote: Hi, After minimizing the protein -ligand complex, the co-ordinates have changed drastically.My idea about minimization was the coordinates will have minute changes only. In this case my protein is completely transferring