[gmx-users] nrexcl for TIP4P-ICE water model

[mbhendle]

Hello all,

I want to use tip4p-ice water for my simulations and the tip4p-ice
topology  "_tip4p-ice.itp_" (i am using )is same as:

http://www.sklogwiki.org/SklogWiki/index.php/GROMACS_topology_file_for_the_TIP4P/Ice_model
[1]

Is nrexcl=1 correct ??? 
As the other topologies (eg. spc, spce, tip4p) in oplsaa have nrexcl=2.
Will it affect my results. 
As nrexcl is used to set 1-4 non-bonded interactions on/off and water
does't have any.

Thanks & Regards,
Mangesh Bhendale

 

Links:
------
[1]
http://www.sklogwiki.org/SklogWiki/index.php/GROMACS_topology_file_for_the_TIP4P/Ice_model