[gmx-users] Multiple LINCS Warnings in NVT Equillibration

I am simulating one urea molecule in water and am struggling with it nvt.log *The .mdp for energy minimization is* ; minim.mdp - used as input into grompp to generate em.tpr ; Parameters describing what to do, when to stop and what to

[gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration

Thank you!! But it still didn't work!! -- View this message in context: http://gromacs.5086.x6.nabble.com/Multiple-LINCS-Warnings-in-NVT-Equillibration-tp5009701p5009722.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing listgmx-users@gromacs.or

[gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration

I changed the cut-offs as follows, still isn't helping. I tried restraining the urea which also didn't work. I have attached the topology as well. topolurea.top *The nvt.mdp* title = UREA_in_WATER NVT equillibration ;define