C=============== C C Rama.inc C C helpful hint: MAKE SURE YOU CHANGE THE NAMES OF THE COMMON BLOCKS C IF YOU USE THIS FOR SOMETHING ELSE (JK Sep 94) C C by John Kuszewski May 1995 C=============== INTEGER MAXRAMACLASSES PARAMETER (MAXRAMACLASSES = 1000) C C arrays that hold coupling info C ramaassndx tells ending index of the rama_x arrays (below) C for each class. C ramaforces holds k1 for each class C C these are small enough not to bother with the heap. C INTEGER RAMACLASSTYPE(MAXRAMACLASSES) INTEGER EXPRAMAPTRS(MAXRAMACLASSES), CALCRAMAPTR DOUBLE PRECISION RAMAFORCES(MAXRAMACLASSES) DOUBLE PRECISION RAMAERRORS(MAXRAMACLASSES) CHARACTER*50 RAMACLASSNAMES(MAXRAMACLASSES) C C (potentially) 12 phase corrections for each class C DOUBLE PRECISION RAMAPHASEC(12, MAXRAMACLASSES) C C maxramas = number of slots set aside for chemical rama C assignments C nramas = total number of coupling constants entered C INTEGER MAXRAMAS, NRAMAS, NRAMACLASSES, CURRAMACLASS C C pointer to array to hold atom numbers and the class of each C entry C INTEGER RAMAATOMPTR C C overall scaling factor for force constants C DOUBLE PRECISION RAMASCALE C C number of entries along the phi and psi dimensions C of the expectation arrays C INTEGER PHISTEPS(MAXRAMACLASSES), PSISTEPS(MAXRAMACLASSES) INTEGER CHISTEPS(MAXRAMACLASSES), THTSTEPS(MAXRAMACLASSES) C C input modes C INTEGER RAMAMODE, NEW, UPDATE PARAMETER (NEW = 1) PARAMETER (UPDATE = 2) C C potential types C INTEGER RAMAPOTENTIAL, SQUARE, HARMONIC PARAMETER (SQUARE = 1) PARAMETER (HARMONIC = 2) C C use this to identify no-expectation slots C This should be the same as in cshifts.inc C DOUBLE PRECISION NOEXPECTATION PARAMETER (NOEXPECTATION = 1.0E20) DOUBLE PRECISION NOEXPTEST PARAMETER (NOEXPTEST = 1.0E17) C C parameters as set up in ETOR C C===>parameter MCONST truncates the reciprocals and makes sure C===>we don't devide by zero DOUBLE PRECISION MCONST PARAMETER (MCONST=0.0001D0) C===>parameter EPS determines the absolute value of SIN(PHI) at C===>which we want to switch to the alternative computation for the C===>derivative DOUBLE PRECISION EPS PARAMETER (EPS=0.1D0) C LOGICAL ALLOCRAMA C C common blocks C COMMON /CRAMA/ RAMACLASSNAMES COMMON /IRAMA/ RAMACLASSTYPE, EXPRAMAPTRS, RAMAPOTENTIAL, & CALCRAMAPTR, MAXRAMAS, NRAMAS, CURRAMACLASS, & NRAMACLASSES, PHISTEPS, PSISTEPS, CHISTEPS, & THTSTEPS, RAMAMODE, RAMAATOMPTR COMMON /DRAMA/ RAMAFORCES, RAMAERRORS, RAMAPHASEC, RAMASCALE COMMON /LRAMA/ ALLOCRAMA C SAVE /CRAMA/ SAVE /IRAMA/ SAVE /DRAMA/ SAVE /LRAMA/