----- Original Message ----- From: Павел Кудрявцев <pavk...@gmail.com> 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 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? What's your GROMACS version and command line? > Btw what happen if I'll keep 2 types of water models in one simulation? Your reviewers will giggle. Mark -- 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/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/mailing_lists/users.php
