AMBER Archive (2006)

Subject: AMBER: united atoms

From: nadiav_at_soton.ac.uk
Date: Tue Mar 28 2006 - 05:04:53 CST


Hi,

Is it possible to incorporate united atoms in minimisation studies using
sander/Amber8? if so, at what stage would this be incorporated in the prep
files? I have read that leap doesn't handle united atoms?! also read that,
parm91X.dat needs to be included in the parm directory!

final question, is Nmode/Amber8 compatible with the use of united atoms?

Thank you in advance.

Nadia Vahdati

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