Re: [gmx-users] Re: who can help me with the force-field?

2009-09-21 Thread Mark Abraham
On 09/21/09, xiao shijun xshi...@gmail.com wrote:    Mark wrote:      xiao shijun wrote: Hi everyone,     Recently, I met a problem on the force-field. I am doing something on the calcium carbonate, and want to simulation it with gromacs. The shell model for oxygen has been

[gmx-users] Re: who can help me with the force-field?

2009-09-20 Thread xiao shijun
Mark wrote: xiao shijun wrote: Hi everyone, Recently, I met a problem on the force-field. I am doing something on the calcium carbonate, and want to simulation it with gromacs. The shell model for oxygen has been emploied in my system. When I considered the non-boned potential