AMBER Archive (2006)

Subject: AMBER: AMBER 8.0 : Octane Implicit Solvent?

From: Guillaume Bollot (Guillaume.Bollot_at_chiorg.unige.ch)
Date: Tue Jan 24 2006 - 10:25:42 CST

Dear all,
I would like to perform simulations of a protein in implicit solvent to see
the effects between water and octane. I used IGB=1 and I changed
EXTDIEL=2.0 for the octane but I didn't find the EXTDIEL in the mdout file.
This is the same case for water where EXTDIEL=78.5 (default). How to know
if my simulation is carried out in octane? Is this possible to carry out a
simulation in IMPLICIT octane with Amber 8.0?
Thanks a lot in advance.

BOLLOT Guillaume
Organic Chemistry Department
University of Geneva
30, quai Ernest-Ansermet
CH-1211 Geneva 4
tel. +41-22 379 6155
e-mail: Guillaume.Bollot_at_chiorg.unige.ch

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