tarak20489 at gmail.com
Fri May 17 12:18:01 CEST 2013
I have read the 'implementation of charmm in gromacs' by bjelkmar,
JCTC. There they have used following cut-offs
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?
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