[gmx-users] chcl3 box
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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