On 8/14/17 11:09 AM, ZHANG Cheng wrote:
Dear Gromacs, After running echo r 1-442 q|gmx make_ndx -f md_0_1.tpr -o index.ndx I got a index.ndx file. Then I run echo 19 19|gmx rms -s md_0_1.tpr -f md_0_1.xtc -o rmsd.xvg -tu ns But still only 18 options could be recognised. The index.ndx file is already in the same folder. So how to use the index.ndx when running rms?
If you don't tell gmx rms to use the index (via -n), it won't. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.biochem.vt.edu/people/faculty/JustinLemkul.html ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
