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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@404 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-03-16 14:57:02 +00:00
parent 3bf07918d4
commit 88dab95c2b
2 changed files with 8 additions and 8 deletions
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8
doc/fix_rigid.html
View File

@ -44,7 +44,7 @@ for simulating a system of colloidal particles.
</P>
<P>This fix updates the positions and velocities of the rigid atoms with
a constant-energy time integration, so you should not update the same
atoms via other fixes (e.g. nve, nvt, npt, temp/rescale, langevin).
atoms via other fixes (e.g. nve, nvt, npt).
</P>
<P>Each body must have two or more atoms. Which atoms are in which
bodies can be defined via several options.
@ -78,12 +78,12 @@ of three or more atoms, one degree-of-freedom must be added using a
such rigid bodies, use "temp_modify mine extra -7", where 3 is the
default setting and -10 degrees-of-freedom are subtracted).
</P>
<P>Note that this fix uses constant-energy integration, so you need to
impose additional constraints to control the temperature of an
<P>Note that this fix uses constant-energy integration, so you may need
to impose additional constraints to control the temperature of an
ensemble of rigid bodies. You can use <A HREF = "fix_langevin.html">fix
langevin</A> for this purpose to treat the system as
effectively immersed in an implicit solvent, i.e. a Brownian dynamics
model. Or you can thermostat the atoms of an explicit solvent
model. Or you can thermostat additional atoms of an explicit solvent
directly.
</P>
<P><B>Restrictions:</B>

8
doc/fix_rigid.txt
View File

@ -37,7 +37,7 @@ for simulating a system of colloidal particles.
This fix updates the positions and velocities of the rigid atoms with
a constant-energy time integration, so you should not update the same
atoms via other fixes (e.g. nve, nvt, npt, temp/rescale, langevin).
atoms via other fixes (e.g. nve, nvt, npt).
Each body must have two or more atoms. Which atoms are in which
bodies can be defined via several options.
@ -71,12 +71,12 @@ of three or more atoms, one degree-of-freedom must be added using a
such rigid bodies, use "temp_modify mine extra -7", where 3 is the
default setting and -10 degrees-of-freedom are subtracted).
Note that this fix uses constant-energy integration, so you need to
impose additional constraints to control the temperature of an
Note that this fix uses constant-energy integration, so you may need
to impose additional constraints to control the temperature of an
ensemble of rigid bodies. You can use "fix
langevin"_fix_langevin.html for this purpose to treat the system as
effectively immersed in an implicit solvent, i.e. a Brownian dynamics
model. Or you can thermostat the atoms of an explicit solvent
model. Or you can thermostat additional atoms of an explicit solvent
directly.
[Restrictions:]