[gmx-users] error in pdb2gmx

[Dmitriy Golubobsky]

Please, give an adive.

I've add new residues to ffoplsaa.rtp
build pdb file.
and try to convert it to gromacs format.
under WindowsXP, using GROMACS 3.2.1 everyting is OK.
but, when i did the same comman under GROMACS 3.3.1 (SuSE),
i've got an error:

Read 4904 atoms
Opening library file /usr/local/gromacs/share/gromacs/top/xlateat.dat
26 out of 26 lines of xlateat.dat converted succesfully
Analyzing pdb file
There are 1 chains and 0 blocks of water and 258 residues with 4904 atoms

  chain  #res #atoms
  1 ' '   258   4904

All occupancy fields zero. This is probably not an X-Ray structure
Opening library file /usr/local/gromacs/share/gromacs/top/ffoplsaa.atp
Atomtype 817
Reading residue database... (ffoplsaa)
Opening library file /usr/local/gromacs/share/gromacs/top/ffoplsaa.rtp
-------------------------------------------------------
Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 289

Fatal error:
in .rtp file at line:


-------------------------------------------------------

"These Gromacs Guys Really Rock" (P.J. Meulenhoff)


What I'm doing wrong?
-- 
Dmitriy Golubovsky
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