[gmx-users] MD simulation of 2 molecules in a system

Mark Abraham Mark.Abraham at anu.edu.au
Tue Apr 10 09:36:20 CEST 2007

Alif M Latif wrote:
> Dear GROMACS users,
> I was wondering if GROMACS can run MD simulation of two molecules in one 
> system (box+spc water). This two molecules have the hydrophobic and 
> polarity effects which i want to see through the simulation. Can anybody 
> suggest how to do it? I cant find it in the manual (or maybe i missed 
> them). Any suggestion will be welcomed and very much appreciated. Thanks 
> a lot..

For a start, read chapters 1-5 and do the tutorial material available on 
the website. If you've already done this, then you need to ask a more 
focused question, or read chapter 5 more closely.


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