[gmx-users] help with thihs MD

[Florian Haberl]

On Friday 17 December 2004 15:06, Tanos wrote:
> 	Hi folks,
> 	I am facing the problem bellow in my dynamics simulations. Could someone
> help me ???? Thanks in advance !!!
> 	Tanos C. C. Franca
> 	Military Institute of Engeneering - IME
> 	Rio de Janeiro - RJ
>
> "t = 319.066 ps: Water molecule starting at atom 44507 can not be settled.
> Check for bad contacts and/or reduce the timestep.Wrote pdb files with
> previous and current coordinates
> Large VCM(group rest): 1577225539289088.00000, 877937351983104.00000,
> -1950824880144384.00000, ekin-cm:  1.06508e+36 "

http://www.gromacs.org/pipermail/gmx-users/2003-March/004747.html

use search function of the mailing list

Greetings,

Florian

-- 
-------------------------------------------------------------------------------
 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de
 -------------------------------------------------------------------------------