Amit Choubey wrote:
Hi everyone,
I am afraid this is not really a gromacs related question. Could anyone
refer me to a review paper which discusses about simulating water? Does
any of them gives a comparative and complete study of molecular dynamics
with water , answering questions like which water model to use, how to
deal with coulomb interaction, what should be the cutoff value (if
cutoff is used) . I have not been able to find one with complete story.
Is anyone aware of such a publication.
The first Google result if you search for "water models" is:
http://www1.lsbu.ac.uk/water/models.html
There are tons of references there. I'm sure they will lead you in the right
direction. Which water model to use also often depends on the parameterization
scheme of the force field you want to use.
-Justin
Thank you,
Amit
--
========================================
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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