[gmx-users] HF/6-31G** ESP derived charges to replace PRODRGassigned ones

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 20 07:40:56 CEST 2009

Lucio Montero wrote:
> How can you calculate computationally charges for molecules containing 
> phosphates?

The same way they did it for your force field of interest. See 


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