AMBER Archive (2004)

Subject: AMBER: MD simulations with 2 molecules

From: Joey Harriman (s808o_at_unb.ca)
Date: Wed Feb 18 2004 - 14:32:47 CST

Hi,

I am trying to do a MD simulation with two molecules. However, when I try to load both
prep files (prepi) it resets the coordinates. In addition I have had problems using
the prepc format for prep files. Is there an easy way to set up two molecules and save
the top and crd file in xleap? Any help would be greatly appreciated.

Thanks in advance,
Joey Harriman

----------------------------------
Joey Harriman
MSc Computational Chemistry
University of New Brunswick
Room 228
Toole Hall
s808o_at_unb.ca
476-6543
----------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu