------------------------------------------------------- Amber 9 SANDER 2006 ------------------------------------------------------- | Run on 07/11/2007 at 16:40:12 [-O]verwriting output File Assignments: | MDIN: vac_md1_12Acut.in | MDOUT: eqmecycl_vac_md1_12Acut.out |INPCRD: eqmecycl_vac_min.rst | PARM: eqmecycl.prmtop |RESTRT: eqmecycl_vac_md1_12Acut.rst | REFC: refc | MDVEL: mdvel | MDEN: mden | MDCRD: eqmecycl_vac_md1_12Acut.mdcrd |MDINFO: mdinfo |INPDIP: inpdip |RSTDIP: rstdip Here is the input file: #MD in vacuum, 12 angstrom cutoff &cntrl imin = 0, ntb = 0, igb = 0, ntpr = 100, ntwx = 100, ntt = 3, gamma_ln = 1.0, tempi = 300.0, temp0 = 300.0, nstlim = 100000, dt = 0.001, cut = 12.0 / -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: | NONPERIODIC ntb=0 and igb=0: Setting up nonperiodic simulation