[gmx-users] pdb2gmx error

Rongliang Wu wurl04 at iccas.ac.cn
Wed Apr 19 10:31:13 CEST 2006


Hello, gmx-users,
		i used command"pdb2gmx -f a.pdb -ignh" but i got error like:

Program pdb2gmx, VERSION 3.3
Source code file: add_par.c, line: 218

Fatal error:
Atom H2 not found in rtp database in residue BEN
-------------------------------------------------------

there are no H2 atom in my file. why? my version is gromacs3.3

Regards

Thanks
 				

        Rongliang Wu
        wurl04 at iccas.ac.cn
          2006-04-19


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