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
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