On 9/05/2011 3:46 PM, sreelakshmi ramesh wrote:
dear gmx users,
i have to simulate nacl in water...the system
is acubic box with just one na adn one cl ion in tip3p water.i wanted
to use a buckingham potential for na adn cl interaction and lennard
jones for water -ion intercation.i really dont have any idea on how to
do this.any help will be of great use for me...
Can't be done simply. You'd have to use non-bonded interaction tables
for the Na-Cl interaction with properly constructed energy groups.
Search the manual and webpage for details.
Mark
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