[gmx-users] query about protein contact map and salt concentration

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jan 26 07:06:14 CET 2007

sangeeta wrote:
> Dear All,
>      Is there any option in Gromacs to produce protein contact map? If 
> possible will you please give me some hints? I have seen that other MD 
> programs like CHARMM and AMBER can produce it, so I think certainly GROMACS 
> can do the same.Please help about this matter.

How about looking in the manual? A text search for "contact map" seems 
indicated here...

>      Another query is how can I impose salt concentration in my simulation? 

So, how would you do this in a explicit-solvent simulation where what 
you put in the solvent is what you get? (Hint, hint...)

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