[gmx-users] chcl3 box

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 7 10:48:09 CET 2009

mohana lakshmi wrote:
> hi all..
> I need to run simulation in chloroform medium. I have downloaded the 
> .gro and .mdp files for chlroform, but when i run grompp for energy 
> minimization it shows the error "Invalid order for directive atomtypes, 
> file ""chcl3.itp"", line 1"

I answered this one yesterday when you first asked it... 

With the information you've given you won't be able to get any more 
detailed help :-) Have a read of Chapter 5.


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