On 9/05/2011 4:01 PM, sreelakshmi ramesh wrote:
i had followed the instructions in themnaual for ninbonded
interactions adn had created two tables one for nacl adn other table
for water ion interations...
That's not "I really don't have any idea on how to do this". Please ask
the question you want answered, or you're wasting everyone's time.
i wanted some information on how to use these tables for starting thee
simulation
Sorry, that's too general. You might want help with a command line, or
setting up the .mdp, or something else. Please read 6.7 of the manual,
try things, and ask a focused question.
Mark
On Mon, May 9, 2011 at 11:20 AM, Mark Abraham <mark.abra...@anu.edu.au
<mailto:mark.abra...@anu.edu.au>> wrote:
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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