AMBER Archive (2004)

Subject: AMBER: AddIons

From: Vincent Bisetty (bisettyk_at_dit.ac.za)
Date: Thu Oct 07 2004 - 07:15:03 CDT

Hi,
I am using AMBER 8 to carry out some MD simulations of my peptide in its
zwitterionic form in DMSO and in MEOH. I am using leap to prepare my
structures. Although I've used AddIons for my peptide in water, I am not
sure about the use of ions in the case of MeOH and DMSO. We don't know
if there exist previous experience in this sense, and if the ions
parameters can also be used in solvents different from water. Any
suggestions/references will be gratefully accepted.

Thanks in advance,
regards,
vincent.

Dr K Bisetty
Senior Lecturer
Department of Chemistry
Steve Biko Campus
Durban Institute of Technology
P O BOX 1334
Durban
4000
Tel : +27-031-2042311
Fax : +27-031-2022671
"ND-4-SPD"
bisettyk_at_dit.ac.za

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