AMBER Archive (2006)

Subject: AMBER: Snapshots (pdbs) from a trajectory.

From: Jordi Rodrigo De Losada (jordi.rodrigo_at_unicaen.fr)
Date: Thu Nov 23 2006 - 11:11:18 CST

Dear Amber users,

I'm planning to obtain some snapshots(in PDB format) from a dynamics. In
the previous versions of Amber I used the CARNAL module in order to get
these pdbs. I've tried to find in the manual how to get this snapshots
using ptraj. I saw that I can get an average of my dynamics and also
analyze the results, however, I didn't find how to obtain some snapshots.
For instance, if I run a dynamics of 250 ps and I want to recover a pdb
file every 10 ps (so 25 pdbs at the end) what command or module should I
use?
Does anybody could help me and give the command or the little script for
this?
Thank you very much in advance.

Jordi

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu