[gmx-users] re: .HTP FILE

[Subramaniam Boopathi]

Dear All


                I  have created the pdb file for interaction of protein
with new molecules. I am able to rum the pdb file successfully  but I am
facing error in the Equillibration process. The Error shows that


                                        *atom HAQ is missing in residue NIC
8 in the pdb file You might need to add atom HAQ to the hydrogen database
of building block NIC  in the file aminoacids.hdb (see the manual)
*
                 likewise 14 atoms H atoms are missing in residu*e.Can
anyone help me  how to add atom in .htp file for new molecules interacting
with protein.Thanks in advance.



with regards
Boopathi.s
*