On 2/13/20 1:33 PM, Marwa Abd El Kader wrote:
Dear gmx-users mailing list team, I want to know how to fix the separation of 2 chains after the production run. I'm trying different combinations of trjconv after creating an index file having a specific residue(s) on the interface between the 2 chains, but nothing is working. I fixed this issue before but when there was only one chain, now with 2 chains, I don't know how to rejoin them together again. Can you suggest me any solution, please?! *N.B: the 2 chains are considered as one when selected in VMD
Center on a single chain rather than trying to work with the interface residues.
-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.
