[gmx-users] chcl3 box

mohana lakshmi mohanaa.bioinfo at gmail.com
Wed Jan 7 07:34:45 CET 2009


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"

If any one knows please help me

Thanks
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