Re: [gmx-users] pulling experiment

Xiaohua Zhang wrote: Sorry for my mistake about the group names. I was confused just to find it difficult to simultaneously fix one group (layer0) but pull another (layer2). It is possible to fix an absolute reference and pull layer2, but layer0 might follow the motion of layer2. For such e

Re: [gmx-users] pulling experiment

Xiaohua Zhang wrote: Dear gmx-users I want to design such kind of computer experiment: For a system composed of non-bonded three layers (carbon nanotubes, graphene, or whatever), I want to fix layer0 (the group name) to exactly (0,0,0), and pull layer2 by a constant force, for example, alon

Re: [gmx-users] pulling experiment

Sorry for my mistake about the group names. I was confused just to find it difficult to simultaneously fix one group (layer0) but pull another (layer2). It is possible to fix an absolute reference and pull layer2, but layer0 might follow the motion of layer2. For such experiment, the relative spee

[gmx-users] pulling experiment

Dear gmx-users I want to design such kind of computer experiment: For a system composed of non-bonded three layers (carbon nanotubes, graphene, or whatever), I want to fix layer0 (the group name) to exactly (0,0,0), and pull layer2 by a constant force, for example, along positive x all the time.