[gmx-users] pdb2gmx --- fatal error- .gro file not created

Fernando Mattio mattiofer at gmail.com
Wed Sep 28 14:39:55 CEST 2005

Dear Gromacs users,

I started from a file 1WFA.pdb, and after using the command
pdb2gmx -f 1WFA.pdb -p WFA.top -o WFA.gro
I expected to have the file WFA.gro
However, this fatal error message appears: Fatal error: atom C not found in
residue 38NH2 while combining tdb and rtp
Probably for this reason the file WFA.gro was not created! But the WFA.top and
the WFA_A.itp were created!
I really would like to create this .gro file, once I read this kind of file
is better than the .pdb ... I don´t think the command is wrong... and I
started from a pdb file already created! So what is the problem? How can I
correct this?
So please, if anyone knows what should I do to have this .gro file it would
be nice.

Thank you very much in advance,
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