Subject: Free Volumes in C2

From: Shyam Vyas <[email-masked]>
Date: Tue, 2 Jun 1998 11:29:00 GMT

Dear CCL'ers

         In reply to David De Vito's query, with regard to
         Free Volumes in Cerius2_3.5. 
         
         The command efffectively calculates the total free
         volume, the occupiable volume (such as in the pore
         of a zeolite channel), and the accessible volume.
         The technique entails using a grid method 
         and shares some similarities with the Access_Grid 
         command in InsightII 400. The methods are very similar
         to the Connolly surface calculations, which are well
         documented in both the manuals and the literature.

         MSI would be happy to provide further information
         to its maintenance paying customers should they
         so wish. However, I'm sure as you all understand,
         it would be unfair to our maintenance paying
         customers if this information was freely available.
         Feel free to contact customer support if you have any
         further queries. 

         Best regards,
         Shyam
-- 

****************************		  If you ..
Dr. Shyam Vyas GRSC, DIC    		 
Support Scientist - Materials Science      believe in nothing, 
Molecular Simulation 		           love no one,
240/250 The Quorum			   and posses nothing 
Cambridge, CB5 8RE              
Email [email-masked]      	  .. you will be happy.  
      [email-masked]

Phone +44 (0) 1223 413300
Fax   +44 (0) 1223 413301 
Hotline	+44 (0) 345 413375
*****************************