------------------------------------------------------- Amber 10 SANDER 2008 ------------------------------------------------------- | Run on 04/28/2010 at 12:50:18 [-O]verwriting output File Assignments: | MDIN: sander_lig.in | MDOUT: sander_lig.1.out |INPCRD: ../snapshot/snapshot_lig.crd.1 | PARM: ../zzl_vac.prmtop |RESTRT: restrt | REFC: refc | MDVEL: mdvel | MDEN: mden | MDCRD: mdcrd |MDINFO: mdinfo |INPDIP: inpdip |RSTDIP: rstdip |INPTRA: inptraj | Here is the input file: File generated by mm_pbsa.pl. Using MM GB MS &cntrl ntf = 1, ntb = 0, dielc = 1.0, idecomp= 0, igb = 2, saltcon= 0.00, offset = 0.09, intdiel= 1.0, extdiel= 80.0, gbsa = 1, surften= 1.0, cut = 999.0, nsnb = 99999, scnb = 2.0, scee = 1.2, imin = 1, maxcyc = 1, ncyc = 0, &end -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: | INFO: Old style PARM file read