[gmx-users] appropriate force fielf

Paul Buscemi pbuscemi at q.com
Tue Jun 25 17:45:21 CEST 2019

Do it  the easy way. Find some literature that approximates your simulation and-after verifying their results with more lit- replicate their work


> On Jun 25, 2019, at 9:38 AM, starlight <starlight.r77 at gmail.com> wrote:
> 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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