[gmx-users] Orientation of DMSO

Carl Caleman calle at xray.bmc.uu.se
Thu Mar 29 00:32:31 CEST 2007


I believe you should generate an index file (make_ndx) with the atoms 
you are interested in and run g_order.

Good luck,


Dinesh Pinisetty wrote:
> Hello Everyone,
>          I have a 50ns simulation which involves DMSO molecules. How do 
> I find the orientation of DMSO molecules for the whole simulation. I 
> know that water orientation can be found by using the command g_h2order. 
> I tried using g_h2order for DMSO molecules orientation but I was not 
> sure if that is right. I will greatful if anyone could suggest me the 
> right command to be used.
> Sincerely,
> Dinesh.
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