Subject: Mg and GTP parameters needed

From: Dorina Kosztin <[email-masked]>
Date: Sun, 30 Jan 2000 22:32:00 -0600 (CST)

Hi,

I would greatly appreciate if somebody can provide me with Charmm
parameters for Mg ions and GDP/GTP. Also please let me know if there are
any papers that used Mg ions or GDP/GTP in molecular dynamics
simulations.

Thank you,
Dorina Kosztin
---------------------------------------------------------
Theoretical Biophysics Group	Email: [email-masked]
Beckman Institute, UIUC		Phone: (217) 244-8946
405 North Mathews Ave.		Fax:   (217) 244-6078
Urbana, IL 61801, USA		http://www.ks.uiuc.edu/
---------------------------------------------------------

---

From: Rick Venable <[email-masked]>
Date: Mon, 31 Jan 2000 13:35:52 -0500 (EST)

> any papers that used Mg ions or GDP/GTP in molecular dynamics

You can find recent CHARMM parameters at the URL

	http://www.pharmacy.umaryland.edu/~alex/research.html

The CHARMM27 parameters include MG++

--
Rick Venable                  =====\     |=|    "Eschew Obfuscation"
FDA/CBER Biophysics Lab       |____/     |=|
Bethesda, MD  U.S.A.          |   \    / |=|  ( Not an official statement or
[email-masked]          |    \  /  |=|    position of the FDA; for that,
http://www.erols.com/rvenable       \/   |=|    see   http://www.fda.gov  )