subject:"\[gmx\-users\] Use pull code to restrain the COM"

Re: [gmx-users] Use pull code to restrain the COM

2013-08-08 Thread Justin Lemkul

On 8/8/13 6:43 PM, Bin Liu wrote: Hi All, I would like to restrain the COM of a molecule, say a protein, in my simulation. I found the pull code can do the job. However, I am not sure about several parameters in the .mdp file. For example, if I want to restrain the COM of the protein in only

[gmx-users] Use pull code to restrain the COM

2013-08-08 Thread Bin Liu

Hi All, I would like to restrain the COM of a molecule, say a protein, in my simulation. I found the pull code can do the job. However, I am not sure about several parameters in the .mdp file. For example, if I want to restrain the COM of the protein in only z direction, but not rigidly, I can sp