[gmx-users] The RMSD of a metal ion

simon sham ssham44 at yahoo.com
Mon Jun 27 19:12:53 CEST 2011


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

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