[gmx-users] cut-offs

[tarak karmakar]

Dear All,

I have read the 'implementation of charmm in gromacs' by bjelkmar,
JCTC. There they have used following cut-offs
coulombtype=PME
rcoulomb=1.2
vdwtype=switch
rvdw=1.2
rvdw-switch=1.0

If I use the same numbers with rlist=1.2 it is showing warning saying
rlist should be at lear 0.1 - 0.3 nm larger to get proper conservation
of energy. Now, changing the rlist enforces to change the rcoulomb.
Can anyone please suggest the best possible combination of these numbers?

Thanks,
Tarak