Subject: Advice on New Hardware and Software

From: patrick kane <[email-masked]>
Date: Tue, 6 May 1997 14:33:07 +0100 (BST)

Hi,

 My research group are about to purchase a workstation. We have ca. IR£20 
K (= US$ 30 K) to spend and we do not wish to buy second hand equipment.

 We are interested in carrying out molecular dynamics simulations of
solvated calixarene:metal complexes to estimate Gibb's free energy of
complexation of these complexes.  The calixarenes have ca. 120 heavy atoms
and we are mostly interested in Group 1 and Group 2 metals. We have
limited experience of programming and for the forseeable future, it is
unlikely that we will be coding such programs. 

 I was hoping that someone could advise us on what are the best 
combinations of software and hardware available.

 Rgds,
 Paddy.

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