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

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