Dear all, I try to make my residues of interest as an index group using the command make_ndx -f conf.gro -o index.ndx. I have entered my residues as > r 15 23 27 30 82 84 125 127 129 140 143 184 187 188 191 194 195 198 201 205 206 208 211 228 236 261 263 273 277 282 283 428 429 432 433 438 441 457 459 463
then I renamed the index file using > name 26 tunnel >q When I checked back my index file, I found some water molecule atoms also inserted in the tunnel group. What could be the problem? Am I doing in the proper way? Thanks a lot for your valuable time. -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics Department of Biotechnology IIT Madras Chennai INDIA-600036 -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
