User Activity

  • Committed [3ad373]

    Fixup: order does matter

  • Posted a comment on ticket #44 on ERmod

    AFAIR, this was the historical "feature" to enable TIP3P "solute" calculation. There...

  • Created ticket #44 on ERmod

    gen_structure for NAMD incorrectly splits solvent into solute and the solvent

  • Modified ticket #43 on ERmod

    Replace pseudo random number generator

  • Posted a comment on ticket #43 on ERmod

    rev. 6b516f added the RNG.

  • Committed [6b516f]

    Miscommit: added xorshift1024star.f90 for RNG

  • Committed [790252]

    Replaced slvfe.F90 which failed to merge

  • Committed [18b03e]

    Implemented RNG for #43. Untested atm.

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2012-02-14 08:15:14


  • Project Logo ERmod Approximate solvation free energy calculator Last Updated:


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