[AMBER] Problem to save a particular snapshot from the trajectory

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Tue, 19 Mar 2013 20:56:01 +0800 (SGT)

dear all
I want to save a particular snapshot from the trajectory. as i understood from the ambertools manual ptraj can do this. i try the following:

trajin MD.mdcrd
trajout snap.restrt restart

it gives all snapshot. now i want to generate only a particular snapshot. how to mention this in the script file. please let me know. 

with best regards
sindrila 
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 19 2013 - 06:00:05 PDT
Custom Search