[gmx-users] Re: pair interaction energy decomposition analysis

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jun 20 12:52:17 CEST 2012

On 20/06/2012 8:34 PM, Son Tung Ngo wrote:
> Dear Dr. Lemkul,
> Many thanks for your reply. Would you like to explain for me how I can use
> single-atom charge groups in gromacs simulation, please?

Search for charge groups in chapter 5 of the manual.


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