Chih-Ying Lin wrote:
HI
When I run MD, my system is exploding.
And, I found after minimisation, the atoms of my molecule are seperated apart.
That probably suggests that whatever parameters you've applied are not correct.
The overall charge of my system is +1, and I put one molecule in th
HI
When I run MD, my system is exploding.
And, I found after minimisation, the atoms of my molecule are seperated apart.
The overall charge of my system is +1, and I put one molecule in the
gas phase to do the structure test. But, it was already exploding.
Is it hard for a +1 charge molecule to
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