| REFC: refc | MDVEL: mdvel | MDEN: mden | MDCRD: mdcrd |MDINFO: mdinfo |INPDIP: inpdip |RSTDIP: rstdip Here is the input file: REM &cntrl imin=1, maxcyc=1000, ncyc=400, scee=1.2, ntpr=100, ntwx=100, cut=15.0, ntb=1, ntr=1, / Hold the Protein fixed 500.0 RES 1 148 END END -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: getting new box info from bottom of inpcrd | INFO: Old style inpcrd file read | peek_ewald_inpcrd: Box info not found in inpcrd |Largest sphere to fit in unit cell has radius = 0.000 "min_wat.out" [converted] 52L, 2998C 52,1 Bot