[gmx-users] Spatial distribution

Mark Abraham Mark.Abraham at anu.edu.au
Fri Nov 7 13:58:07 CET 2008

Gadzikano Munyuki wrote:
> I want to analyse the solvent around a peptide . I used g_sdf and the output  that i am getting (i.e the refmol.gro) does not have the whole peptide molecule but just the residues that i use to define the coordinate system . I then tried to use g_spatialbut its doing something very different and not spatial distibution, it looks like  its executing g_cluster instead. I was wondering if g_custer and g_spatial are meant to do the same thing.

Have a read of g_cluster -h and g_spatial -h and decide whether they're 
doing the same thing :-)


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