Subject: modeling of phosphonates...

From: "Victor M. Rosas Garcia" <[email-masked]>
Date: Wed, 22 May 1996 13:46:42 -0400

Hello everybody,

	Is there anyone out there modeling phosphonates?  I'd like to discuss
some experiences (both good and bad) I've had.  Comments about the
appropriateness of any method (molecular mechanics, semiempirical and ab
initio) are welcome.  I'm particularly interested in modeling including solvent
effects.

Victor

-- 
-----------------------------------------------------------------------
Victor M. Rosas Garcia                   * "How can we contrive to be 
[email-masked]                *  at once astonished at the  
Virginia Tech doesn't necessarily share  *  world and yet at home in it?"
the opinions you just read.	         *  G. K. Chesterton
-----------------------------------------------------------------------

---

From: [email-masked] (colvin michael e)
Date: Wed, 22 May 1996 11:51:12 -0700

Hi Victor,
  My group has been doing ab initio and MD simulations on both small phosphonates,
phosphonate-backbone DNA