[gmx-users] What can I to do with the problem: lincs warning and water can not be settled?
xshijun at gmail.com
Fri Jun 19 09:31:10 CEST 2009
The simulation was OK. But when I changed the epsilon of some atoms to get
rid of LJ, lincs warning emerged as:
step 116 ; time 0.232 LINCS warning ralative constraint deviation
max 4.765960 (between atoms 858 and 856)
rotated more than 30 degrees:
t=0.232ps : water molecular starting at atom 17660 can not be
check for bad contact and/or reduce the timestep.
then the warning happened every step untill the programm crashed.
Thanks for your discussion!!
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