RE: [gmx-users] a basic question

2007-08-12 Thread Yulia Einav
I had exactly this problem. The reason was I've edited mdp file at Windows. Sounds silly, I know, but just do your editing for mdp at Linux, it solved the problem for me. Yulia Einav Ph.D. From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Beha

[gmx-users] Error during grompp

2007-07-17 Thread Yulia Einav
not match topology (topol.top, 0) Furthemore the same part of the protein always move out of the box in different simulations. Is there any way to prevent the moving? How do I continue the simulation from this point? Thank you for your help, Yulia Yulia Einav Ph.D. Mathematical Bi