Re: [gmx-users] fix a group in truncated octahedron

Sorry for this. Thanks for your kind reply. That is the answer of my question. Actually, I only want to make sure whether the command of energygrp_excl has the ability not to calculate the force in the group. The manual about energygrp_excl seems not talk about how to deal with the force.

Re: [gmx-users] fix a group in truncated octahedron

lammps lammps wrote: Sorry for this. Thanks for your kind reply. That is the answer of my question. Actually, I only want to make sure whether the command of energygrp_excl has the ability not to calculate the force in the group. The manual about energygrp_excl seems not talk about how to

[gmx-users] fix a group in truncated octahedron

Hi GMX users, I want to fix a group in a truncate octahedron. How can I dealt with the question below, There is One spherical rigid body consists of face-center cubic lattices fixed in the center of the box. I do not want to calculate the force and energy between the paritcles of this rigid

Re: [gmx-users] fix a group in truncated octahedron

Wende, This is the third time you post this exact message. Apparently, nobody felt equipped to reply to your post, either because nobody knows the answer, or your message and intent were not clear enough. In either case, reposting your message over and over is completely useless and annoying.

[gmx-users] fix a group in truncated octahedron

Hi GMX users, I want to fix a group in a truncate octahedron. How can I dealt with the questions below, 1. I hope the box corresponds to an inscribed circle of cubic of size 40*40*40, how to calculate the box vectors? 2. One spherical rigid body consists of face-center cubic lattices is fixed

[gmx-users] fix a group in truncated octahedron

Hi Wende, please do not double post. If you are unsure if your post got through, you can easily see the list at http://lists.gromacs.org/pipermail/gmx-users/2009-December/date.html. You did not put units beside 40, so I suppose that you mean 40 A, whereas gromacs uses nm. 1. Make a box

[gmx-users] fix a group in truncated octahedron

Hi, I want to fix a group in a truncate octahedron. How can I dealt with the questions below, 1. I hope the box corresponds to an inscribed circle of cubic of size 40*40*40, how to calculate the box vectors? 2. One spherical rigid body consists of face-center cubic lattices is fixed in the