[gmx-users] problem regarding .top file generated by genbox

Mark Abraham 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.


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