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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7027 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-10-04 15:13:00 +00:00
parent a2fc91f4a7
commit bf962e01ee
2 changed files with 22 additions and 0 deletions
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11
doc/fix_spring.html
View File

@ -91,6 +91,17 @@ below the z = 0 center plane of the pore (umbrella sampling). The
last example holds the ion a distance 5 away from the pore axis
(assuming the center-of-mass of the pore in x,y is the pore axis).
</P>
<P>IMPORTANT NOTE: The center of mass of a group of atoms is calculated
in "unwrapped" coordinates using atom image flags, which means that
the group can straddle a periodic boundary. See the <A HREF = "dump.html">dump</A>
doc page for a discussion of unwrapped coordinates. It also means
that a spring connecting two groups or a group and the tether point
can cross a periodic boundary and its length be calculated correctly.
One exception is for rigid bodies, which should not be used with the
fix spring command, if the rigid body will cross a periodic boundary.
This is because image flags for rigid bodies are used in a different
way, as explained on the <A HREF = "doc/fix_rigid.html">fix rigid</A> doc page.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

11
doc/fix_spring.txt
View File

@ -84,6 +84,17 @@ below the z = 0 center plane of the pore (umbrella sampling). The
last example holds the ion a distance 5 away from the pore axis
(assuming the center-of-mass of the pore in x,y is the pore axis).
IMPORTANT NOTE: The center of mass of a group of atoms is calculated
in "unwrapped" coordinates using atom image flags, which means that
the group can straddle a periodic boundary. See the "dump"_dump.html
doc page for a discussion of unwrapped coordinates. It also means
that a spring connecting two groups or a group and the tether point
can cross a periodic boundary and its length be calculated correctly.
One exception is for rigid bodies, which should not be used with the
fix spring command, if the rigid body will cross a periodic boundary.
This is because image flags for rigid bodies are used in a different
way, as explained on the "fix rigid"_doc/fix_rigid.html doc page.
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart