[gmx-users] chloroform box

mohana lakshmi mohanaa.bioinfo at gmail.com
Tue Jan 6 10:55:32 CET 2009

hi al

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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090106/e74d3686/attachment.html>

More information about the gromacs.org_gmx-users mailing list