[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.

Mark



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