read rtf card append * Topology generated by ParmEd * 36 1 MASS -1 DZ 28.08000 MASS -1 DA 2.00000 RESI CAM 2.000000 ! CAM model GROUP ATOM D0 DZ -3.690000 ATOM D1 DA 0.948334 ATOM D2 DA 0.948334 ATOM D3 DA 0.948333 ATOM D4 DA 0.948333 ATOM D5 DA 0.948333 ATOM D6 DA 0.948333 BOND D1 D3 D1 D4 D1 D5 BOND D1 D6 D2 D3 D2 D5 BOND D3 D5 D3 D6 D4 D5 BOND D0 D1 D0 D2 D0 D3 BOND D0 D4 D0 D5 D0 D6 IC D2 D1 *D0 D3 0.9050 90.00 72.00 90.00 0.9050 IC D2 D1 *D0 D4 0.9050 90.00 144.00 90.00 0.9050 IC D2 D1 *D0 D5 0.9050 90.00 -144.00 90.00 0.9050 IC D2 D1 *D0 D6 0.9050 90.00 -72.00 90.00 0.9050 !PATCHING FIRS NONE LAST NONE END read para card flex append * Parameters generated by ParmEd * ATOMS MASS -1 DZ 28.08000 MASS -1 DA 2.00000 BONDS DZ DA 41.83 0.9050 DA DA 41.83 1.2799 ANGLES DA DZ DA 900.00 90.00 DIHEDRALS DA DZ DA DA 40.0 0 180.00 IMPROPERS NONBONDED nbxmod 5 atom cdiel fshift vatom vdistance vfswitch - cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 DZ 0.000000 -1.620459 1.498487 0.000000 -1.620459 1.498487 DA 0.000000 -0.525813 0.053317 0.000000 -0.525813 0.053317 END ! The following section contains NBFixes for CAM interacting with ! water. set para if ?NUMNODE gt 1 set para node 0 set wrn ?WRNLEV ! Some versions of CHARMM don't seem to initialize wrnlev... if "@WRN" eq "?WRNLEV" set wrn 5 set bom ?bomlev WRNLEV -1 @PARA BOMLEV -1 @PARA read para card flex append * NBFix between cam and water * NBFIX ! Emin Rmin DZ OT -0.37653 3.12526 DZ HT -0.20707 1.58156 END BOMLEV @bom @PARA WRNLEV @wrn @PARA return