!+ Specification of Amber's Interface to LMOD ! Use defines instead of parameters because this file may ! be included by both C and Fortran. ! Xmin return flags #define DONE 0 #define CALCENRG 1 #define CALCGRAD 2 #define CALCBOTH 3 #define CALCENRG_NEWNBL 4 #define CALCGRAD_NEWNBL 5 #define CALCBOTH_NEWNBL 6 #define CALCENRG_OLDNBL 7 #define CALCGRAD_OLDNBL 8 #define CALCBOTH_OLDNBL 9 ! Lmod return flags #define UNIMPLEMENTED -1 #define MINIMIZE 5 #define RELAX 6 ! NonBond List Update control options #define NBL_UPDATE_ALWAYS 569 #define NBL_UPDATE_NEVER 691 #define NBL_UPDATE_NORMAL 769