Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems
Keyword(s):
This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.
2019 ◽
Vol 15
(6)
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pp. 3694-3709
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2019 ◽
2019 ◽
Vol 83
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pp. 107133
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2015 ◽
Vol 55
(12)
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pp. 2731-2738
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2003 ◽
Vol 119
(6)
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pp. 3559-3566
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