C rtf.inc C residue topologies C C mass defaults C MAXAT2 maximum number of mass default specifications C IATC number of mass default specifications C ATCT chemical atom type for mass default C MASDEF value for mass default specification INTEGER MAXAT2 PARAMETER (MAXAT2=1000) INTEGER IATC DOUBLE PRECISION MASDEF(MAXAT2) CHARACTER*4 ATCT(MAXAT2) C C RESIdues C MXRTRS maximum number of residues in file C NRTRS number of residues in file C NICM dimension of linked list NIC C NIC linked list for bonds, angles,... C RTRTYP 0 if normal residue, 1 if patch residue C INTEGER MXRTRS, NICM PARAMETER (MXRTRS=200,NICM=50) INTEGER NIC(NICM,MXRTRS) INTEGER NRTRS,RTRTYP(MXRTRS) CHARACTER*4 AA(MXRTRS) C C ATOMs C MXRTA maximum number of atoms in topology file C FTP(*) atom name C CHG(*) charge C ARMASS(*) mass C MAC(*) type C GRPR(*) group index C DELAT(*) atom option (e.g. DELE, MODI, ADD) C INTEGER MXRTA PARAMETER (MXRTA=2000) CHARACTER*5 FTP(MXRTA) CHARACTER*4 DELAT(MXRTA), MAC(MXRTA) DOUBLE PRECISION CHG(MXRTA), ARMASS(MXRTA) INTEGER GRPR(MXRTA) C C explicit nonbonding exclusions C MXRTX maximum number of exclusions C MXN(*) index into linked list MNB C MNB(*) linked list C INTEGER MXRTX PARAMETER (MXRTX=2000) INTEGER MXN(MXRTA) CHARACTER*5 MNB(MXRTX) C C BONDs C MXRTB maximum number of bonds C MIB(*) first bond atom C MJB(*) second bond atom C DELBD(*) bond option (e.g. DELE, ADD ) C INTEGER MXRTB PARAMETER (MXRTB=2000) CHARACTER*5 MIB(MXRTB), MJB(MXRTB) CHARACTER*4 DELBD(MXRTB) C C ANGLes C MXRTT maximum number of angles C MIT(*) first angle atom C MJT(*) second angle atom C MKT(*) third angle atom C DELAN(*) angle option C INTEGER MXRTT PARAMETER (MXRTT=2000) CHARACTER*5 MIT(MXRTT), MJT(MXRTT), MKT(MXRTT) CHARACTER*4 DELAN(MXRTT) C C DIHEdrals C MXRTP maximum number of dihedrals in topology file C MIP(*) first dihedral atom C MJP(*) second dihedral atom C MKP(*) third dihedral atom C MLP(*) fourth dihedral atom C DELPT(*) dihedral option C INTEGER MXRTP PARAMETER (MXRTP=2000) CHARACTER*5 MIP(MXRTP),MJP(MXRTP),MKP(MXRTP),MLP(MXRTP) CHARACTER*4 DELPT(MXRTP) C C IMPRopers C MXRTI maximum number of impropers in topology file C MIM(*) first improper atom C MJM(*) second improper atom C MKM(*) third improper atom C MLM(*) fourth improper atom C DELMT(*) improper option C INTEGER MXRTI PARAMETER (MXRTI=2000) CHARACTER*5 MIM(MXRTI),MJM(MXRTI),MKM(MXRTI),MLM(MXRTI) CHARACTER*4 DELMT(MXRTI) C C COMMON blocks C ============= C C double precision block C COMMON /RTF/ MASDEF, ARMASS, CHG C C integer block C COMMON /IRTF/ IATC, NRTRS, NIC, RTRTYP, MXN, GRPR C C character string block C COMMON /CRTF/ ATCT, 1 DELAT, FTP, AA, MAC, 2 MNB, 3 DELBD, MIB, MJB, 4 DELAN, MIT, MJT, MKT, 5 DELPT, MIP, MJP, MKP, MLP, 6 DELMT, MIM, MJM, MKM, MLM C SAVE /RTF/ SAVE /IRTF/ SAVE /CRTF/