Re: [gmx-users] crystallographic water to tip4p model

- Original Message - From: Павел Кудрявцев Date: Tuesday, May 18, 2010 20:55 Subject: [gmx-users] crystallographic water to tip4p model To: gmx-users@gromacs.org > Hi, > I wanna keep crystallographic water with tip4p model for md simulation but > when I use pdb2gmx even

[gmx-users] crystallographic water to tip4p model

Hi, I wanna keep crystallographic water with tip4p model for md simulation but when I use pdb2gmx even if I set "-water tip4p" it protonates oxygens to spc water model instead. Is there any way to replace spc water molecules with tip4p water molecules in the same orientation? Btw what happen if I'l