mmStandalone
molecular mechanics program. This program reads a Gaussian input file from
standard input and writes a new input file with the (possibly optimized) structure
to standard output. The desired force field must be selected via the -Dreiding,
-UFF, -Amber or -Param option (see below for the latter).
The type of job to run is specified with the -Force, -Freq, -Opt,
and -Micro command line options; the default is an energy calculation.
-Micro optimizes only the atoms that are in the real system (in order to
preoptimize the MM portion of the molecule). ADDITIONAL COMMAND LINE OPTIONS-Param
N Use force field N (same as IOp(1/64)=N within
Gaussian). -ReadParam Read in additional parameters. Internally-stored
parameters have priority over read-in parameters. -ReplaceParam
Read in additional parameters. Read-in parameters take priority over the internally-stored
parameters -OptCyc N Specify the maximum number of optimization
cycles to N. -ReadCon Read connectivity information from
the input file (i.e., the input file uses Geom=Connect). -Test
N Set the debugging flag to N (higher numbers result in more
debugging output). -TRScale num Use scaling scheme num
for rigid translations/rotation: 0=no scaling (the default); 1 says
to scale the N atoms in a rigid block by 1/N; 2 says to scale
the N atoms in a rigid block by 1/SQRT(N), and a negative value
scales by |N|/1000.
-External
Read input and write output in the formats used by the External keyword.
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