How to set POTIM in molecular dynamics simulations

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fegg7502

How to set POTIM in molecular dynamics simulations

#1 Post by fegg7502 » Wed May 13, 2009 2:52 am

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?
Last edited by fegg7502 on Wed May 13, 2009 2:52 am, edited 1 time in total.

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Re: How to set POTIM in molecular dynamics simulations

#2 Post by support_vasp » Wed Sep 11, 2024 2:01 pm

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