[gmx-users] How to understand the pull geometry of cylinder

lammps lammps lammp2forum at gmail.com
Tue Apr 21 06:18:02 CEST 2009


Hi everyone,

My colleague and I can not understand the picture of parameter of pull
geometry of cylinder. How to determine the reference COM?
How does the pulled group move?

It is apprecited if someone gives me a simple picture of the parameter. A
sketch map is OK.

 Thanks in advance.

-------------------------------------
pull geometry

cylinder
Designed for pulling with respect to a  layer  where the reference COM is
given by a local cylindrical part of the reference group.

The pulling is in the direction of pull vec,which should have only a
z-component.

>From the reference group a cylinder is selected for determining the COM,
with the axis given by the x/y location of the group to be pulled and two
radii.

The radius pull r1 gives the radius within which all the relative weights
are one, between pull r1 and pull r0 the weights are switched to zero.  Mass
weighting is also used.
------------------------------------


-- 
wende
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