AMBER Archive (2006)

Subject: AMBER: ptraj: rms per residue

From: simon whitehead (sjw084_at_bham.ac.uk)
Date: Wed Jun 14 2006 - 09:14:28 CDT

Dear amber users,

I was wondering if anyone knows how i could use ptraj to print out
information for the RMSd of each residue for the entire trajectory
rather than for the whole system vs time? Can this done by say, making a
shell script? Apologies for my ignorance, i am not familiar with shell
scripting.

Many thanks

simon

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