[gmx-users] why TIPS3P, why not TIP3P?

[Albert]

Hello:

  I noticed that the CHARMM36 FF recommend CHARMM TIP 3-point with LJ on 
H's model for lipids when we run pb2gmx each time. I am just wondering, 
why it is recommend for lipids? Is there any special superior reason to 
do so? As far as I google both Gromacs maillist and CHARMM forum, most 
people conclude that there is no big differences between CHARMM TIP3 
model and original TIP3P model. Here is what I found:


http://www.charmm.org/ubbthreads/ubbthreads.php?ubb=showflat&Number=23727

http://www.charmm.org/ubbthreads/ubbthreads.php?ubb=showflat&Number=23422#Post23422

http://pubs.acs.org/doi/full/10.1021/ct900549r

http://lists.gromacs.org/pipermail/gmx-users/2010-September/053966.html

Actually, in one of the recent De.Shaw CELL paper 
(http://www.sciencedirect.com/science/article/pii/S0092867412015528), 
they also introduced normal TIP3P water model+ CHARMM36 FF for their 
system. In this work, they performed 100+ us long time scaled MD 
simulation for a extremely large membrane protein.

could anybody comment on this issue?

THX a lot.

Albert