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cp2k/tests/Fist/sample_top
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Ole Schütt 5417965e49 Fist: Fix segfault for systems without dihedrals
2024-02-24 00:03:43 +01:00
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ace_ala_nme.top 2nd step for natively supporting AMBER files: reading the connectivity from the 2008-10-29 17:39:33 +00:00
ch4.top Fist: Fix segfault for systems without dihedrals 2024-02-24 00:03:43 +01:00
dmpoh_vacuum.atop bug fix for K (amber FF) (Letif) 2013-05-02 09:17:10 +00:00
lamol.top Allowing MOL_SET with AMBER topology 2009-10-17 19:11:31 +00:00
pc.top Allow multiple_unit_cell also for connectivity. Added 1 regtest based on 2009-06-18 18:46:16 +00:00