Re: [gmx-users] some warnings

2012-10-25 Thread Albert
On 10/25/2012 03:07 PM, Justin Lemkul wrote: Notes and warnings are different. In this case, grompp is advising you that some of your settings are inappropriate. For note 1, do what it says. If you don't know why, Google "flying ice cube effect." For notes 2 and 3, it is simply telling you t

Re: [gmx-users] some warnings

2012-10-25 Thread Justin Lemkul
On 10/25/12 8:52 AM, Albert wrote: hello: I am using GBSA solvent for replica exchange simulation. However, I've got three wanrnigns when I generate .tpr file: NOTE 1 [file eq_11.mdp]: Tumbling and or flying ice-cubes: We are not removing rotation around center of mass in a non-perio

[gmx-users] some warnings

2012-10-25 Thread Albert
hello: I am using GBSA solvent for replica exchange simulation. However, I've got three wanrnigns when I generate .tpr file: NOTE 1 [file eq_11.mdp]: Tumbling and or flying ice-cubes: We are not removing rotation around center of mass in a non-periodic system. You should probably set c