[gmx-users] Re: how to turn off the interamolecular interaction

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 19 17:39:43 CET 2008

xianghong qi wrote:
> Hi, Mark,
> Which method can work with exclusion? Could you give me some hints for 
> that? Thanks again.

I'm not your free teacher... :-) You need to have a much better working 
knowledge of MD than one such that you need to ask that question. 
Certainly with your present knowledge, it seems you should not be 
attempting some study where you're turning off some interactions for 
some unknown purpose. The first few chapters of the GROMACS manual are a 
great place to start, and you won't get anywhere without them.


More information about the gromacs.org_gmx-users mailing list