AMBER Archive (2005)

Subject: AMBER: in vacuo parameters

From: Stern, Julie (jvstern_at_bnl.gov)
Date: Tue Mar 15 2005 - 17:14:44 CST

Hello Amber-ites,
   The AMBER 8 tutorial says that for in-vacuo simulations, periodicity
needs to be disabled. Is this true and can you explain why? The problem
that I'm working on involves alkane chains which are supposed to move so I
need the periodicity in-vacuo. Are there any ways around this constraint?

Thanks.

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