Re: [gmx-users] What can I to do with the problem: lincs warning and water can not be settled?
xiao shijun wrote: hi, 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 after LINCS: rms 0.168
[gmx-users] What can I to do with the problem: lincs warning and water can not be settled?
hi, 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 after LINCS: rms 0.168368, max 4.765960 (betwe