[gmx-users] top file definitions_1

rosip at qb.ffyb.uba.ar rosip at qb.ffyb.uba.ar
Wed Aug 6 22:46:54 CEST 2008

Dear Community, 

I am trying to manually define a .top file of an organic molecule (a 
modified bisphosphonate). I am not a gromacs user but a lab mate is, so he
will make the run. 
It has been several days since I started to search for a text where the 
.top format is depicted in detail but the only document I found was the one 
of the UREA molecule.
I need to have a detailed and didactic description of fields between [ ]
and their columns of data 
just to understand the example of the UREA. 
By the way, do you know whether there is a forum to share parameters of 
Thank you very much, 
Best regards, Pablo Rosi.

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