Dear gms users, I’ve been using x2top for some time with success.. I recently taken a polymer whose itp was created with x2top and using the same 55a7 ff and re-ran it as a demo-tutorial.
In leaning how to use x2to and atomname2type I expected the error “ Cannot find forcefield for atom x” This time I have many such errors on this previously rune molecule as “Can not find force field for atom C 4444 with bonds or atom N555 with 37 bonds. The pdb and gro files open just fine with VMD and Avogadro. Any hints what might cause such weird outcome ? There is no log file to include, and the pdb text looks normal - has the name “HETATM” in the first column Gromac 18.3 Linxux mint Mat 20.1 thanks Paul -- 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.
