[gmx-users] g_select error
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;
> It should be possible to do it in one line, but the above set of
> selections seems to work fine.
thank you so much for such kind helps.
it finally works.....;-)
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