AMBER Archive (2008)

Subject: AMBER: big molecule numbers

From: Adrien Delmont (
Date: Thu Jul 24 2008 - 17:27:22 CDT

Dear AMBER developers, I˘m studying on an example MD simulation about a small formamide  molecule .  I˘m using my own force field parameters since my molecule is not described enough with  the GAFF.  Apart  from simulation of small formamide  molecule  in Amber , my goal is to increase molecule numbers  and run  MD simulation with big molecule numbers  like 500 or 1000 in Amber . And  I thought that I should use Antechamber  tool  but  I˘m not sure about  that . So I want to get more information about this matter. How can I use big molecule numbers   for the simulation ?  Could you give me the information about the basics of this procedure? Thanks for your help! Best regards, Adrien

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)