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This version has the following updates:

  • (SPDYN) Introduce AMBER FF19SB
  • (ATDYN) Introduce AMBER GBSA model

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Updated:

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This version has the following updates. Bugfix of reading psf file when reading an atomtype that begins with a non-alphabetic letter.

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This version has the following updates. Bugfix of random number generator for CG simulation in atdyn. Enable of Intel Compilers (ifx/icx) from 2024. (F...

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This version has the following updates. Some flags (!$omp simd, !$dir$) have been removed. Auto-test scripts in regression_test directory have been fix...