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MacroModel Reference Manual - ISP

MacroModel Reference Manual - ISP

MacroModel Reference Manual - ISP

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Chapter 4: Operation Codes0 Time interval in ps.arg6Time interval for writing summary lines to log file0 Program chooses a “reasonable” value.>0 Time interval in ps.arg7Control writing of output structure file at the start of each MDYN runInitially, <strong>MacroModel</strong> is set to not clear the output structure file at the start of each MDYN run.If arg7 of MDSA is set to a value greater than zero, the default behavior is turned off and theoutput structure file is wiped clean at the start of each subsequent MDYN run. Setting arg7 ofMDSA to a value less than zero “switches off” the effect of having set arg7 to a value greaterthan zero in a previous MDSA line in the command file.If arg7 is set to zero, then the currently set MDSA behavior will be used. For example, if arg7had been set to a value greater than zero at an earlier point in the .com file, setting arg7 to zeroin subsequent line would cause the previously set behavior (wipe the output structure file) tocontinue. On the other hand, if arg7 had been set to a value less than zero at an earlier point inthe .com file, setting arg7 to zero in subsequent line would cause the previously set behavior(do not wipe the output structure file) to continue.If the first MDSA line in the .com file is set to 0, then the previously set behavior (<strong>MacroModel</strong>’sdefault behavior) of not wiping the output structure file would be used.>0 Wipe the output structure file clean at the start of each MDYN run after this line in the.com file.

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