Re: [gmx-users] Superimposing dissimilar structures

2012-01-08 Thread Mark Abraham
On 9/01/2012 4:53 PM, John Ladasky wrote: Hello everyone, I've used the rot+trans option in GROMACS trjconv to superimpose groups of atoms within a single molecular dynamics simulation. I am now interested in modeling a protein, and a rather thoroughly scrambled circular permutation of that

[gmx-users] Superimposing dissimilar structures

2012-01-08 Thread John Ladasky
Hello everyone, I've used the rot+trans option in GROMACS trjconv to superimpose groups of atoms within a single molecular dynamics simulation.  I am now interested in modeling a protein, and a rather thoroughly scrambled circular permutation of that same protein.  I want to construct a superim