[gmx-users] generating a box containing NaOH + water

Hi Subhrangshu Please try packmol http://www.ime.unicamp.br/~martinez/packmol/ You just need the coordinates of a single molecule of NaOH, water and the solute to generate the whole system. let me know if it works for you. anirban -- Be the change you wish to see http://delhi.aidindia.org

Re: [gmx-users] generating a box containing NaOH + water

Subhrangshu Supakar wrote: Hi All, Can somebody help me in generating a box containing NaOH + water for studying the interaction of a small molecule with this solvent? Well you might to this by using genion on a box of water, but first you should take care to find a suitable model of hydroxid

[gmx-users] generating a box containing NaOH + water

Hi All, Can somebody help me in generating a box containing NaOH + water for studying the interaction of a small molecule with this solvent? S.Supakar West Bengal University of Technology India ___ gmx-users mailing listgmx-users@gromacs.org http://w