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NAMD allows efficient full electrostatic evaluation
through the use of multiple time stepping.
The computational aspects of these parameters
are discussed in more detail in section 5.2.1.
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MTSAlgorithm
MTS algorithm to be used
Acceptable Values: naive, verletI, verletX
Default Value: naive
Description: Specifies the multiple timestep algorithm used to integrate the
long range forces.
We recommend verletI because of its conservation properties,
with stepspercycle set to 4.
If Langevin dynamics is used, then verletX
might be a better choice.
See section 5.2.1 for the differences
between these methods.
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longSplitting
how should long and short range forces be split?
Acceptable Values: sharp, xplor, c1
Default Value: sharp
Description: Specifies the manner in which the long and short range
forces are combined.
We recommend using the c1 splitting.
See section 5.2.1 for more details.
David Hardy
1998-09-06