Dear Abdul, please keep all Gromacs-related questions on the mailing list.
Best, Carsten Begin forwarded message: > From: "abdul wadood" <wadoodbiochem...@hotmail.com> > Date: July 3, 2010 8:40:29 AM GMT+02:00 > To: <ckut...@gwdg.de> > Subject: missing atom > > Dear Carsten > > I am running simulation using gromacs with amber forcefields on my protein. I > have prepared the input file accordingly and have all the required library. > But the problem is that when i run pdb2gmx for the top file the following > error come: > > WARNING: atom H is missing in residue LEU 2 in the pdb file > You might need to add atom H to the hydrogen database of residue LEU > in the file ff???.hdb > > I tried my best to solve the problem, searching on the gromacs website and > manual but cannot succeed. > If you kindly help me in this respect your help will be highly appreciated by > our group our research. > the input file is attached. > > Many regards > > Abdul Wadood, > Research Scholar, > Dr.Panjwani Center for Molecular Medicine and > Drug Research, > International Center for Chemical and > Biological Science, > University of Karachi, Karachi-75720, Pakistan. > Email:wadoodbiochem...@hotmail.com > >
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