On 8/14/17 2:03 AM, farial tavakoli wrote:
Dear Justin Thanks for your advice.Now I am trying to create a .gro file from the united atom pdb structure file obtained from ATB by using :editconf -f xxx.pdb -o xxx.gro but faced to this warning: WARNING: all CONECT records are ignored would you please advice me how can i solve this problem?
You don't. You don't need connectivity information from the PDB because it's all in the topology. This really shouldn't be a "warning," rather an informative note.
-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.
