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exercises:2018_uzh_acpc2:prot_fol

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exercises:2018_uzh_acpc2:prot_fol [2018/05/18 21:09] – [Task 2: Perform constrained MD simulations] gtocciexercises:2018_uzh_acpc2:prot_fol [2018/05/18 21:10] – [Task 1: Familiarize yourself] gtocci
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 Although the image below shows the deca-alanine in water, it is expensive to run thermodynamic integration  Although the image below shows the deca-alanine in water, it is expensive to run thermodynamic integration 
- for a solvated protein with many values  of the constraints (here we choose 5 to 10) on small laptops. So we will run TI for the protein in the gas-phase.+ for a solvated protein with many values of the constraints on small laptops. So we will run TI for the protein in the gas-phase.
  
 {{ :exercises:2017_uzh_acpc2:deca_ala.gif?400 |}} {{ :exercises:2017_uzh_acpc2:deca_ala.gif?400 |}}
exercises/2018_uzh_acpc2/prot_fol.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1