[gmx-users] Solved - Pyroglutamic Acid - Topology (pdb2gmx)

Christian mailinglists at christian-jaeger.org
Thu Oct 15 17:23:02 CEST 2009


the -ter in pdb2gmx worked with some additional modifications in the *.top - 
file. I selected none for N- and C-terminus, so that no additional Hydrogens 
were added. Then i manually added the bond between C (PGL) and N (PHE) and the 
dihedral for this amide into the *.top - file.

Thanks a lot for your Help


More information about the gromacs.org_gmx-users mailing list