AMBER Archive (2006)

Subject: AMBER: build box info for acetonitrile in the simulation with periodic boundary condition

From: Eric Hu (list.eric_at_gmail.com)
Date: Wed Aug 09 2006 - 13:06:30 CDT

Dear amber users

I am trying to use amber 9 to simulate a organic molecule in
acetonitrile. Since ntb requires the box info in the topology file, I
wonder if there is a way to treat acetonitrile as a solvent and use
solvatebox command to add in the topology file in leap. Thanks.

Eric
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu