leila karami wrote:
Dear Justin
I made new .ndx file in which there are following groups:
protein
protein-H
DNA
DNA-H
SOL
I changed selection.dat file to
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 again I encountered same error:
selection parser: syntax error
heavy1 = group Protein-H'selection '
You have to enclose the group name in quotes if it contains a symbol like '-'
which, I think, is otherwise interpreted as subtraction.
-Justin
-------------------------------------------------------
Program g_select, VERSION 4.5.1
Source code file: trajana.c, line: 1310
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
--
========================================
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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
