[gmx-users] appropriate forcefield

starlight starlight.r77 at gmail.com
Sat Jun 29 15:23:11 CEST 2019

Hi, I want to perform some simulations to study the interaction of 2 very
small peptides with each other in the water. I want to put these peptides
separately in water to give a structure and then do a simulation of them
with each other in water to study the peptide-peptide interaction. I need
to know the position of the hydrogen bonds that form between these peptides
in water.
So I want to know about the true force field and water molecule model for
these simulations. I find few articles that try some force fields to such
simulations but they don't say which ff is more appropriate than the
others. Would you please help me to know about it and recommend some
articles. Thank you

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