[gmx-users] water water

[Shrivastava, Indira (NCI)]

 Hi All, 

 Does anyone have any reference/data on effect of method of 
 calculation of electrostatics on water? ie. behaviour of water
 with PME and Cutoff method??  If I were to do such a comparison,
 could someone let me know what are the properties of water 
 which would be of interest?

thanks,
best wishes 
Indira

--------------------------------------------------------------------
Indira Shrivastava                            		            
LECB,NCI              				
Building 12B, Room B109
MSC 5677    						            
MD 20892 5677 	
 Ph: 301-496-2394
 Fax: 301-402-4724
  e-mail:  shrivasi at mail.nih.gov 
-----------------------------------------------------------------