Yammp Shell
Introduction
Simple Commands
Modify the Molecular Environment
Modify the Linesearch Methods for Energy
Minimization
Modify the Energy Minimization Methods
Modify the Molecular Dynamics Methods
Modify the Monte Carlo Methods
Modify the Non-Bond Terms During a
Simulation
Modify Bond Constraints for Molecular
Dynamics
Modify the CONTRA-MD Method
Defining and Invoking Macros
Control Structures
repeat num
statement
...
end
Repeat execution of
statement,
... for
num times.
if condition then
Astatement
...
else
Bstatement
...
end
Evaluate Astatement
... if
condition is true
otherwise evaluate
Bstatement ...
Rather limited since Ysh does not process expressions.
while condition
statement
...
end
Execute statement
... while
condition is true.
Rather limited since Ysh does not yet process expressions.
Examples