Re: [gmx-users] Units of the Amber99 parameters

- Original Message - From: Amir Marcovitz Date: Tuesday, July 6, 2010 17:27 Subject: [gmx-users] Units of the Amber99 parameters To: Discussion list for GROMACS users > Hi All, > > sorry for the naive question, but perhaps someone can tell me what are the > unit

[gmx-users] Units of the Amber99 parameters

Hi All, sorry for the naive question, but perhaps someone can tell me what are the units of the VDW parameters (i.e., Sigma and Epsilon of the Lennard-Jones potential) in Amber force-field? (I'm not sure if its kjoul/mol or kcal/mol) Thanks, amir -- gmx-users mailing listgmx-users@gromacs.or