[gmx-users] help with thihs MD

Tanos tanos at ime.eb.br
Fri Dec 17 15:06:47 CET 2004

	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 "


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