[gmx-users] residue

Dinesh Pinisetty dpinis1 at lsu.edu
Tue Jul 6 18:30:35 CEST 2004

Respected Professor,
            I understood that we need to manually add the missing residue
in ffG43a1.rtp but the problem I do not have the information about
charge,charge groups,bonds,improper dihedrals etc,so I can use prodrg
server but here the problem is the topology and coordinate files created
were giving some problem when I was performing Energy minimization and
Molecular Dynamics run.
       Is there any other way or could you help me out in giving me
information required about the Me1 atom in the residue 'MeO' so that I can
add it manually in ffG43a1.rtp.

Thanking you,
Yours sincerely,

More information about the gromacs.org_gmx-users mailing list