AMBER Archive (2009)
Subject: [AMBER] PTRAJ, rms for separated residues.
From: Catein Catherine (askamber23_at_hotmail.com)
I could like to do use ptraj to study the rmsd of a MD simulation but include only residues 100-200 and 400-500 of a system with 600 residues.
I used the command line as follows:
rms first out rms 100-200_at_CA, 400-500_at_N1'
However, the error message about not recognized appears. Could you pls kindly instruct what command line should be used?