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-- gmx-users mailing list gmx-users@gromacs.org<mailto:gmx-users@gromacs.org> http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org <mailto:gmx-users-requ...@gromacs.org>. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
