On 3/15/20 6:39 PM, Adarsh V. K. wrote:
Dear all, How to overcome this error ? How to overcome this error. Simply delete the lines which give warnings? *gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1* The above command returns following 'error message' while using with " ions.mdp " This run will generate roughly 13 Mb of data There were 3 notes There were 3 warnings ----------------------------------------------------- Fatal error: Too many warnings (3). WARNING 1 [file lig.prm, line 11]: Overriding U-B parameters. WARNING 2 [file lig.prm, line 14]: Overriding U-B parameters. WARNING 3 [file lig.prm, line 17]: Overriding U-B parameters. -----------------------------------------------------
You have parameters in your .prm file that are already present in ffbonded.itp, which happens due to the CGenFF server version (4.0) being behind that of the CHARMM36 port (CGenFF 4.1). Remove the offending parameters from the .prm file.
-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.
