[gmx-users] problem regarding .top file generated by genbox
Mark.Abraham at anu.edu.au
Tue Feb 19 01:15:42 CET 2008
Justin A. Lemkul wrote:
> I suspect you have an error with the order that you have included the relevant
> .itp files within your topology. It would be helpful to include a snapshot of
> your topology which illustrated the order in which these files are included.
> Also, if you are asking whether your commands are right or not, you should
> include your actual commands, otherwise our default assumption is "probably
> not." :-)
Yep, and also the OP didn't say what force field they were using. Since
this defines the atom types, and their problem was with unknown atom
types, this information is important.
More information about the gromacs.org_gmx-users