------------------------------------------------------- Amber 10 SANDER 2008 ------------------------------------------------------- | PMEMD implementation of SANDER, Release 10 | Run on 10/05/2009 at 08:03:20 [-O]verwriting output File Assignments: | MDIN: prod_nve.in | MDOUT: 126_1XCK_MGATP_p1_prod120.out | INPCRD: 126_1XCK_MGATP_p1_prod119.rst | PARM: 1XCK_chainA_MGATP_sol.prmtop | RESTRT: 126_1XCK_MGATP_p1_prod120.rst | REFC: refc | MDVEL: mdvel | MDEN: mden | MDCRD: 126_1XCK_MGATP_p1_prod120.mdcrd | MDINFO: mdinfo |LOGFILE: logfile Here is the input file: MD simulation NVE &cntrl imin= 0, irest= 1, ntx = 5, ntb = 1, cut = 10, ntc = 2, ntf = 2, tol = 0.000001, ntt = 0, ioutfm = 1, nstlim = 1000000, dt = 0.001, ntpr = 1000, ntwx = 10000, ntwr = 50000, &ewald dsum_tol = 0.000001, / | ERROR: Could not read coords from 126_1XCK_MGATP_p1_prod119.rst