[gmx-users] pdb2gmx error.

Taeho Kim taehok at gurum.inje.ac.kr
Tue Dec 13 03:14:47 CET 2005

Hi there.

I ran program pdb2gmx to add hydrogen atom on kcsa(1BL8) ion channel with
GROMOS96(43a1) force field.

but, I have got a error message like below.

WARNING: atom CZ not found in residue 95 while adding atom
Program pdb2gmx, VERSION 3.3
Source code file: genhydro.c, line: 304

Fatal error:
Atom CZ not found in residue ARG95 while adding hydrogens

What's the meaning of error?


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051213/44d05f19/attachment.html>

More information about the gromacs.org_gmx-users mailing list