[gmx-users] 'constraints' directive and water

Alex nedomacho at gmail.com
Tue Mar 27 21:10:19 CEST 2018

Hi all,

Some of my simulations run with a time step of 2 fs and 'constraints' 
set to 'none'. Everything runs perfectly fine, but with such a time 
step, do you usually set constraints to 'h-bonds'? I know I should be 
looking at literature for this, but just wanted to get a basic idea on 
whether people do this.



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