[infinitebyte]

I am not sure if anyone is familiar with Amber. (http://ambermd.org/) I know the specific force field parameters are usually well known throughout the literature, but I am having an issue with the charge/atom type information.

I built a 150 octanol system using the xleap editor. So obviously that's not done and I cannot proceed to get the prmtop and inpcrd files because it needs the charge/atom type information. So I had a pdb file for a single octanol, ran antechamber and did a couple of other things. Now in theory if I have all necessary components for a single octanol, wouldn't that mean I have enough information for my 150 system? I am stuck on how to get around that.

Oh also side note not sure where to post computational chemistry related questions. I guess under p-chem?

[Arkcon]

Since Amber is meant to model biomolecules, maybe you'll reach an expert over here: