Dear All, There are four hydrogen atoms in urea molecule for which I have made H atoms definition in aminoacids.hdb file.
URE 4 1 3 H11 N1 C N2 1 3 H12 N1 C N2 1 3 H21 N2 C N1 1 3 H22 N2 C N1 Still pdb2gmx is unable in recognizing these H atoms and giving error. Can anyone suggest the correct way of defining urea in HDb file regards Divya -- 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 [email protected].
