MacroModel Reference Manual - ISP

Chapter 4: Operation Codes602 If old-style titles are detected in a Maestro-formatted input structure file, do notupdate them.720 GV, 1st and second derivs of Wilson angle OOP terms725 Turn off constant long-range nonbonded derivs726 Turn off constant long-range polarization solvation terms727 Turn off constant long-range surface-area solvation terms800 Don’t regenerate solvation overlap array after MC accept820 Set all atomic weights to 12 for dynamics, inc. FEP825 Don’t correct tiny denom. in analytical solvation derivs830 Don’t correct Gpol,i' for nonbonded pairs left off the nonbonded pairlist832 Don’t correct Gpol,i' for F-F nonbonded pairs which are farther apart than the nonbondedcutoffF = (a) fixed without flat bottom well or (b) frozen835 GV, final Gpol,i' values for all atoms836 GV, generalized Born CCF (Close Contact Function). Available only with singleprecision energies)899 GV, FlexLM licensing general900 GV, print RCS versions of source files used in compilation901 GV, detailed tables of COMMON memory utilization902 GV, table of atom info (regurgitation of atom.typ info)903 GV, table of atomic masses by atom number920 Low-mode search (LMCS or LMC2), write perturbed structures in output structurefile930 Do not check for .stp, .upt, .slp files (speeds response, especially on NFSmountedfilesystems, but loses the functionality of these checks). This behavior ison by default. To enable checking for .stp, .upt, .slp files, use DEBG 931.148MacroModel 9.7 Reference Manual