[gmx-users] g_select / Input error or input inconsistency

[Justin A. Lemkul]

leila karami wrote:
> Dear Justin
> 
> I enclosed the group name  Protein-H and DNA-H in quotes ' ' and " ".
> 
> waterO = group SOL and name OW;
> heavy1 = group 'Protein-H';
> heavy2 = group 'DNA-H';
> inter = waterO and within 0.3 of heavy1 and within 0.3 of heavy2;
> inter;
> 
> waterO = group SOL and name OW;
> heavy1 = group "Protein-H";
> heavy2 = group "DNA-H";
> inter = waterO and within 0.3 of heavy1 and within 0.3 of heavy2;
> inter;
> 
> but in both of states again:
> 
> selection parser: syntax error
>  heavy1 = group 'Protein-H''lection '
> 
> 
> -------------------------------------------------------
> Program g_select, VERSION 4.5.1
> Source code file: trajana.c, line: 1310
> 

Please upgrade to version 4.5.3 and try again.  The syntax I described above 
works correctly for me.

-Justin

> Input error or input inconsistency:
> selection(s) could not be parsed
> For more information and tips for troubleshooting, please check the GROMACS
> 
> website at http://www.gromacs.org/Documentation/Errors
> 
> 
> 
> -- 
> 
> Leila Karami
> Ph.D. student of Physical Chemistry
> K.N. Toosi University of Technology
> Theoretical Physical Chemistry Group
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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