[gmx-users] help with thihs MD
tanos at ime.eb.br
Fri Dec 17 15:06:47 CET 2004
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 "
More information about the gromacs.org_gmx-users