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3 Commits

Author SHA1 Message Date
Andrew Jewett
63b8e86a4b tried to minimize the differences between my version and the existing version 2025-03-19 13:58:46 -04:00
Andrew Jewett
6700a3bed1 Fixed the Moltemplate HowTo docs. (I also added a very simple polymer example.) This needed to be done because the file names and @atom types in the old version of this HowTo are no longer accurate. OPLSAA has changed. Now this HowTo is compatible with the latest version of OPLSAA. More importantly, after this update, the HowTo documentation should never need to be updated again because OPLSAA force field files are named according to the OPLSAA version/date. For example, the "oplsaa.lt" file has been renamed to "oplsaa2024.lt". Future OPLSAA updates will go in other files with different names. So the @atom types in this HowTo example should never need to be updated in the future, regardless what happens with OPLSAA. 2025-03-19 13:36:09 -04:00
Axel Kohlmeyer
f6b644388c add moltemplate tutorial to HowTo section 2023-11-30 16:41:19 -05:00
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