Re: [gmx-users] The RMSD of a metal ion

simon sham wrote: Hi, I would like to look at the positions of a metal ion in MD relative to its original crystal position. I tried g_rms, and I got the following message: "Fatal error : Need >= 3 points to fit" Did I use the correct command to achieve this task? Generally, when one rec

[gmx-users] The RMSD of a metal ion

Hi, I would like to look at the positions of a metal ion in MD relative to its original crystal position. I tried g_rms, and I got the following message: "Fatal error : Need >= 3 points to fit" Did I use the correct command to achieve this task? Thanks for your insight in advance. Simon -- g