Tutorial-l Mailing List
From: Epie Emmanuel Njumbe (eepien_at_gmail.com)
Date: Mon Jul 04 2011 - 08:03:35 CDT
- Next message: Patrick Chiu: "namd question"
- Previous message: Rawan Al Nsour: "Keep water out.tcl"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hello
Can someone tell me how to build two water boxes with the same amount of
water molecules: one box containing a protein -ligand complex while the
other contains both the protein and ligand seperated? I want to solve the
PBE to get their binding energies. I believe this can be done accurately in
NAMD or XLEAP. I am still new in molecular biophysics and do not know much.
I am impatiently waiting.
Regards
Epie
-- Epie Emmanuel Njumbe c/o Diploma Programme CMP The Abdus Salam ICTP Strada Costiera 11, Miramare 34014 Trieste Italy Fax: (+39-040)-2240 388 Cell: (+39) 340 210 3907 URL: http://diploma.ictp.it/courses/cmp/students/emmanuel-njumbe-epie/view email: eepie_at_ictp.it skype: eepie10 ** ** Visit http://www.greatcircle.com/majordomo/ for more info on majordomo **
- Next message: Patrick Chiu: "namd question"
- Previous message: Rawan Al Nsour: "Keep water out.tcl"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
