Re: [gmx-users] How to simulate spc216.pdb in different water potentials

Ravi Kumar Venkatraman wrote: Dear Sir/ Madam, I would like to run simulation for water in different water potentials like spc spc/e tip3p tip4p ... But when I do pdb2gmx and genbox to solvate the box (l= 1.862) I am not able generate box of 216 molecules. Please fi

[gmx-users] How to simulate spc216.pdb in different water potentials

Dear Sir/ Madam, I would like to run simulation for water in different water potentials like spc spc/e tip3p tip4p ... But when I do pdb2gmx and genbox to solvate the box (l= 1.862) I am not able generate box of 216 molecules. Please find me a solution. Thank you in advan