Please use a more descriptive subject line. On 10/31/19 6:46 AM, Vidhu Agrawal wrote:
readmol2 warning: unrecognized element "16"readmol2 warning: unrecognized element "15"readmol2 warning: non-unique atoms were renamed.Now processing molecule CFX ...attype warning: atomic carbon not supported;skipped molecule. .... This is the error in ligand topology building using Cgenff. What can I do to resolve the error?
This is not a GROMACS problem, but it is clear from the error that you have some kind of element that is not supported by the force field and you will not be able to use CGenFF to generate a topology.
-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.
