Thank You, sir! What If I want to extend the residues like choose c-alpha of 150-200 & 60-70 in a single index group ?
On Wed, Jan 8, 2020 at 6:21 PM Justin Lemkul <jalem...@vt.edu> wrote: > > > On 1/8/20 4:49 AM, Christian Blau wrote: > > Hi Navnett, > > > > > > gmx select will be your friend. > > > > > > At the bottom of > > > > > http://manual.gromacs.org/documentation/current/onlinehelp/selections.html > > > > > > you'll find some example commands. Something along the lines of > > > > gmx select -select 'name CA and resid > 149 and resid < 211' > > > > should work. > > > > > > It's a very powerful syntax and I figured for me it was very much > > worth the effort reading through that documentation. > > > > It's also simple in make_ndx: > > 3 & r 150-210 > > Either way works. Whatever you find easier to use. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > 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. -- Thanks & Regards _______________________________________________________ [image: photo] *NAVNEET KUMAR* Doctoral Student Dept. of Pharmacoinformatics National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar - 160062, Punjab (INDIA) P +918017967647 <+918017967647> | E navneet...@gmail.com <navneet...@gmail.com> <http://www.linkedin.com/in/navneet-kumar-74391814a/> <http://facebook.com/xeon.singh> <http://instagram.com/snavneetkumar> Please consider your environmental responsibility. Before printing this e-mail message, ask yourself whether you really need a hard copy. -- 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.