| 43 |
|
ORIENTATION = "orientation"; |
| 44 |
|
FLUCQ = "flucQ"; |
| 45 |
|
RNEMD = "RNEMD"; |
| 46 |
+ |
MINIMIZER = "minimizer"; |
| 47 |
|
ENDBLOCK; |
| 48 |
|
} |
| 49 |
|
|
| 58 |
|
| restraintblock |
| 59 |
|
| flucqblock |
| 60 |
|
| rnemdblock |
| 61 |
+ |
| minimizerblock |
| 62 |
|
; |
| 63 |
|
|
| 64 |
|
assignment : ID ASSIGNEQUAL^ constant SEMICOLON! |
| 84 |
|
|
| 85 |
|
rnemdblock : RNEMD^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
| 86 |
|
; |
| 87 |
+ |
|
| 88 |
+ |
minimizerblock : MINIMIZER^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
| 89 |
+ |
; |
| 90 |
|
|
| 91 |
|
moleculeblock : MOLECULE^ LCURLY! (moleculestatement)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
| 92 |
|
; |