[gmx-users] lipid / -OH oscillation period

Hi, I have a protein/lipid system. Using charmm36 ff and gromacs5.1.4. I set constraints = h-bonds because of charmm. 1. After that grompp complains about the oscillation between an O and H in the lipid. Why? It should not. Possible explanations I can imagine: - does gromacs constrain only pro

Re: [gmx-users] lipid / -OH oscillation period

On 5/8/17 4:32 AM, Tamas Hegedus wrote: Hi, I have a protein/lipid system. Using charmm36 ff and gromacs5.1.4. I set constraints = h-bonds because of charmm. 1. After that grompp complains about the oscillation between an O and H in the lipid. Why? It should not. Possible explanations I can i