Shi, Huilin wrote:
Hi,
Thank you for your reply.
My concern is that if rcoulomb and rvdw are set to be zero, does it
mean that
there are no coulombic and van der waals forces involved in the simulation?
I guess there are still coulombic and van der waals forces between atoms
of a single protein molecule.
Or does setting the cutoff to be zero just mean there is no forces
between neighbored molecules?
Setting cutoffs to zero means infinite cutoffs - all interactions are
calculated.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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