Dear All, I have a pdb file in which has only heavy atoms (means all atoms except hydrogen) and a corresponding itp file with all atoms (including hydrogens). The heavy atoms in pdb file are in sequence order as in itp file.
e.g. itp pdb (no Hydrogens) **** ***** C1 C1 H1 C2 H2 O1 H3 C2 H4 H5 O1 With this pdb (missing Hs ) Is there any way to add hydrogens (which are in itp file) to write a *.gro file having all heavy and hydrogen atoms? regards, Vishal -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
