[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090107/9ddc99b6/attachment.html>
More information about the gromacs.org_gmx-users
mailing list