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. (http://www.gromacs.org/component/option,com_wrapper/Itemid,165/). 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 molecules? Thank you very much, Best regards, Pablo Rosi.
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