[AMBER] Fw:how to select force field

From: Nancy <nancy4619.163.com>
Date: Sun, 8 Mar 2009 22:07:48 +0800 (CST)

     I have one qustion ,I have created promtop and inpcrd files with xleap .But I am not sure whether the force field and solvent model are appropriate .My unit is carbon nanotubes,solvent is water ,I chosen ff99SB as force field in xleap.Maybe it is not correct ,i have read ambertools about force filed ,i can understand a little ,not much ,also I use (solvatebox)cubic water model ,I don not know solvatebox and solvateoct which is more suitable. can anybody give me some detailed explanation about the diffrences and usage of fore fields and solvent modals.
Tanks a lot!

AMBER mailing list
Received on Mon Mar 09 2009 - 01:08:48 PDT
Custom Search