Subject: AMBER and contiuum solvent models

From: [email-masked] (Jeffrey L. Nauss)
Date: Mon, 14 Jul 1997 11:34:05 -0400

Have contiuum solvent models been implemented in AMBER for MD simulations?  If
so, is the code available?

-- 
  Jeffrey L. Nauss, PhD           Telephone: 513-556-0148          
  Dir. Molec. Model. Serv.        Fax:       513-556-9239
  Department of Chemistry         e-mail: [email-masked]    
  University of Cincinnati        URL http://www.che.uc.edu/~nauss

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From: "Peter Shenkin" <[email-masked]>
Date: Mon, 14 Jul 1997 13:14:30 -0400

On Jul 14, 11:34am, Jeffrey L. Nauss wrote:
> Subject: CCL:AMBER and contiuum solvent models

Yes, MacroModel has this.  (Or maybe you meant the original AMBER program,
not MD with the AMBER forcefield in some other program.  The latter, of
course, is what we do.)

-P.

-- 
**** "Deep Blue can't triumph in the game of life." (NY Times, 5/13/97) ***
* Peter S. Shenkin; Chemistry, Columbia U.; 3000 Broadway, Mail Code 3153 *
** NY, NY  10027;  [email-masked];  (212)854-5143;  FAX: 678-9039 ***
*MacroModel WWW page: http://www.columbia.edu/cu/chemistry/mmod/mmod.html *

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From: [email-masked] (Jeffrey L. Nauss)
Date: Mon, 14 Jul 1997 13:17:49 -0400

> not MD with the AMBER forcefield in some other program.  The latter, of

My apologies, I meant the UCSF AMBER program and not implementation of the
MABER forcefield.  Although this *is* useful information for me.  Thanks...