sander with QM/MM interface for Turbomole and xtb

software

posted on 2021-03-23, 16:20 authored by Holger KruseHolger Kruse

Modified sander from AmberTools v18 that includes an added QM/MM interface for Turbomole and xtb.

Contains source code and a statically linked binary.

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Software engineering not elsewhere classified

Keywords

amber Turbomole xtb QM/MM Computer Software

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