[gmx-users] removing some solvent molecules
Mark.Abraham at anu.edu.au
Mon May 29 09:57:52 CEST 2006
gil claudio wrote:
> I have a simulation box with a polymer in the middle
> and solvent molecules surrounding it. The box ended
> up being much bigger than needed--I'll need to reduce
> its size from 20.0 nm to 15 nm, removing solvent
> molecules in the process. Is there a way to do this?
Generate fewer waters in the first place? Edit the .gro file by hand?
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