[gmx-users] RMSD

Apramita Chand apramita.chand at gmail.com
Thu Aug 31 11:57:26 CEST 2017

Dear All,
If I want to show difference in RMSD of peptide conformations in different
solution compositions, what should I choose as reference structure so that
more representative figure is formed?
The .tpr file that I should choose for reference structure should be the
file after equilibration steps or before equilibration steps?

Thanking you,
yours sincerely
Apramita Chand

More information about the gromacs.org_gmx-users mailing list