[gmx-users] g_select error

Albert mailmd2011 at gmail.com
Tue Nov 27 15:40:06 CET 2012

On 11/27/2012 03:33 PM, Justin Lemkul wrote:
> Well, like I warned, I wasn't 100% sure of the syntax, so it was no 
> guarantee that I was right.  Reading into the documentation and 
> examples a bit, it seems that "resname SOL and name OW" should be 
> enclosed within double quotes, within the single-quoted string. 
> Otherwise, use this selection.dat file:
> waterO = name OW;
> close = waterO and within 0.6 of resid 114;
> close;
> It should be possible to do it in one line, but the above set of 
> selections seems to work fine.
> -Justin

thank you so much for such kind helps.
it finally works.....;-)


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