From: Zumot, Elia Nabil (enz1_at_pitt.edu)
Date: Thu Aug 12 2010 - 16:52:51 CDT
Hi Lisa,
Simply right-click on the filename in the main menu and choose "Save Coordinates", and fill your seclection in the "Selected atoms" box. I think you need to add the ".dcd" to the file name when saving it.
Regards
________________________________________
From: owner-namd-l_at_ks.uiuc.edu [owner-namd-l_at_ks.uiuc.edu] On Behalf Of Lisa Brown [lisa.brown2009_at_gmail.com]
Sent: Thursday, August 12, 2010 4:00 PM
To: namd-l
Subject: namd-l: how to save a DCD file without water in NAMD ?
Hi all,
I have a solvated system,need to run long simulations using NAMD and
want to save only the protein coodinates in my DCD file.
I searched about this but could not find anything related to saving
DCD files without water moelcule coordinates.
I will greatly appreciate, if someone help me with this.
Thank you in advance
Lisa
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