Re: [gmx-users] creat .gro; select force field

2010-12-03 Thread Justin A. Lemkul
gromacs wrote: Hi users: I run pure water MD. I need to run different water models. How can i get spce.gro, which means how can i get .gro of spce water? How can i get .gro of TIP4P? The answer to both of these questions can be found here: http://www.gromacs.org/Documentation/How-tos/

[gmx-users] creat .gro; select force field

2010-12-02 Thread gromacs
Hi users: I run pure water MD. I need to run different water models. How can i get spce.gro, which means how can i get .gro of spce water? How can i get .gro of TIP4P? If i select TIP4P water model, which force field should i select? you know, i need .top, and .top should include force fie