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] gtocci | exercises: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 | + | 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/2018_uzh_acpc2/prot_fol.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1