From: Lisa Brown (lisa.brown2009_at_gmail.com)
Date: Fri Aug 13 2010 - 08:06:36 CDT
Thank you Thanassis and Nabil.
But I need it BEFORE the simulation. I want to do a simulation in a
solvated system, but I do not need water coordinates in my DCD file at
seems to be there's no way .
anyway thank you for the help.
2010/8/12 Athanassios Stavrakoudis <astavrak_at_cc.uoi.gr>:
> Hi Lisa,
> NAMD will store the coordinates of all atoms.
> If you want to get rid of the solvent, AFTER the simulation,
> then Carma or Eucb or catdcd packages might help you:
>> 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
> Athanassios Stavrakoudis
> University of Ioannina web: http://stavrakoudis.econ.uoi.gr/
> Department of Economics e-mail: mailto:astavrak_at_cc.uoi.gr
> GR-45110, Ioannina tel: +30 265 100 5935
> GREECE fax: +30 265 100 5092
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:02 CST