[gmx-users] g-select failed

Albert mailmd2011 at gmail.com
Mon Sep 8 16:17:11 CEST 2014

Hello Teemu:

thanks a lot for such helpful advices.

It works now. If I would like to select protein and z>80, I use 
following select.dat file:

"up" protein and z>80;
"down" protein and z<80;

but it failed with messages:

   In command-line option -sf
     Error in parsing selections from file 'select.dat'
       syntax error
       invalid selection '"up" protein and z>80'

do you have any idea how to add additional options?

thx again


On 09/08/2014 03:59 PM, Teemu Murtola wrote:
> Your selection file only declares two selection variables ("up" and
> "down"), but no actual selections. Since g_select expects to get some
> selections, it gives the error message. You can specify your selections
> like this if you want to give them names:
> "up" z>80;
> "down" z<80;
> Best regards,
> Teemu

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