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A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
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902
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this commit fixes issue #111. Thanks to github user paigenb for reporting this problem!
a052d5aView on GitHubcosmetic corrections to several examples and README files
8a9427aView on GitHubrenamed "oplsaa2023.lt" -> "oplsaa2024.lt". I just realized that the OPLS paper where the parameters were taken was formally published in 2024, not 2023. I made the mistake because google-scholar incorrectly reported it as a 2023 paper. I named the file "oplsaa2023.lt" recently (36 hours ago). Hopefully changing it to "oplsaa2024.lt" now will not cause problems for many people. (Presumably this change will only affect people who downloaded moltemplate in the last 36 hours.) My apologies for anyone who was affected! I will not change it again.
f671547View on GitHubupdated the AMBER examples so that they use GAFF2 (instead of GAFF)
074ea2dView on GitHubmore cosmetic changes to the "NIPAM_polymer+water+ions" example
f74f6c6View on GitHubcorrected a README.md file for the "NIPAM_polymer+water+ions" example
9dde5d1View on GitHubcorrected a README.md file for the "NIPAM_polymer+water+ions" example
9aae866View on GitHub