[gmx-users] Re[4]: Using Morse potentials with ENCAD force field

2008-09-03 Thread Vitaly Chaban
1NIT N11 -0.552 0.004 -0.026 1NIT N22 0.552 -0.004 0.026 2.0 2.0 1.2 Andy, If I were your system, I would explode immediately and never let run myself again. b0 (N-N) = (0.552+0.552)=1.104 nm. How should the system behave with such unrealistic

[gmx-users] Re[4]: Using Morse potentials with ENCAD force field

2008-09-02 Thread Vitaly Chaban
    1NIT     N1    1  -0.552   0.004  -0.026     1NIT     N2    2   0.552  -0.004   0.026   2.0  2.0  1.2 Andy, If I were your system, I would explode immediately and never let run myself again. b0 (N-N) = (0.552+0.552)=1.104 nm. How should the system behave with such unrealisti