[MMTK] TIP4P implemented in Amber

Andreas Kring akring1729 at gmail.com
Wed Mar 5 10:26:49 UTC 2008


Hello again.

Thank you for the TIP4P files. These work fine when considering a system 
of water molecules.

However, I would like to examine a system where I use a certain molecule 
as the solute and water as the solvent. I would like to discribe this 
system using the Amber force field, but the water molecules should be 
described by TIP4P.

Is it possible to implement the TIP4P force field that have just been 
uploaded to the wiki by Pierre in such a way that I can still use Amber 
along with it?

Kind regards
Andreas



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