Created
October 9, 2014 13:16
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Methane residue file for GROMACS
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[ bondedtypes ] | |
; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih | |
1 1 3 1 1 3 1 0 | |
[ CH4 ] | |
[ atoms ] | |
CT1 opls_135 -0.24 1 | |
HC1 opls_140 0.06 1 | |
HC2 opls_140 0.06 1 | |
HC3 opls_140 0.06 1 | |
HC4 opls_140 0.06 1 | |
[ bonds ] | |
CT1 HC1 | |
CT1 HC2 | |
CT1 HC3 | |
CT1 HC4 |
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