[gmx-users] VDW Cut-off vs Switch with CHARMM force field

[Gianluca Interlandi]

> vdwtype = switch
> rlist = 1.2
> rlistlong = 1.4
> rvdw = 1.2
> rvdw-switch = 1.0
> rcoulomb = 1.2

I'm confused about the difference between rlist and rlistlong. I am 
planning to also setup an implicit solvent simulation with GBSA and 
CHARMM-FF. Would this make sense?

rlist                    = 1.4

coulombtype              = Shift
rcoulomb_switch          = 0
rcoulomb                 = 1.2

vdw-type                 = Switch
rvdw_switch              = 1.0
rvdw                     = 1.2

Thanks!

      Gianluca


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-----------------------------------------------------
Gianluca Interlandi, PhD gianluca at u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
                     http://healthynaturalbaby.org
-----------------------------------------------------