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 ' ------------------------------------------------------- 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
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