[gmx-users] LINCS

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Aug 30 12:47:41 CEST 2009



> No, because that's not a well-defined proposition. You could generate a
> small box with one solute +solvent, and then use *genbox* to replicate it.

genconf, rather than genbox:

genconf -f in.gro -o out.gro -nbox nx ny nz

with suitable nx, ny and nz for nx*ny*nz copies. Unfortunately
cbrt(20) will not do :p



Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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