dear everyone,
when I do molecular dynamics simulations, how to set POTIM parameters?IS POTIM=1.2 reasonable?
another question is when the model contain H atom, should I reset the H mass to 2 or 3?why?
thank you very much.
How to set POTIM in molecular dynamics simulations
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fegg7502
How to set POTIM in molecular dynamics simulations
Last edited by fegg7502 on Wed May 13, 2009 2:57 am, edited 1 time in total.
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support_vasp
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Re: How to set POTIM in molecular dynamics simulations
Hi,
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