[gmx-users] Replacing a molecule with multiple ions

Timothy Click tclick at nctu.edu.tw
Sun Jul 6 10:47:09 CEST 2014

Good afternoon from Taiwan. Does anyone know of or have an effective way to replace a solvent molecule with multiple ions? For example, I want to replace N,N-dimethylacetamide (DMA) with LiCl ions. genion replaces by 1:1. I was hoping to replace 1:2 because DMA is large enough that I would prefer to replace the position of two different methyl carbons with either a lithium or chloride ion.


柯明 Timothy H. Click, Ph.D.
Department of Biological Science and Technology
Institute of Bioinformatics and Systems Biology
National Chiao Tung University
208 Lab Building 1, 75 Bo-Ai St.
Dong District, Hsinchu, Taiwan 30062
tclick at nctu.edu.tw

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