[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens

[vivek sharma]

Hi There,

I am new to molecular dynamics and GROMACS.
While trying MD for 1XU9.pdb (pdbid) in the very 1st step on using the
command....

 pdb2gmx -f 1XU9.pdb -o 1XU9.gro -p 1XU9.top -i 1XU9.itp -vsite hydrogen
-water spce

I got the following in the last of error.....
......
......
......
.......
N-terminus: NH3+
C-terminus: COO-
WARNING: atom CE2 not found in residue 270 while adding atom

-------------------------------------------------------
Program pdb2gmx, VERSION 3.3.3
Source code file: genhydro.c, line: 304

Fatal error:
Atom CE2 not found in residue PHE270 while adding hydrogens
-------------------------------------------------------
 I tried the same with different force field and water models, but getting
the same error again and again.
any suggestion will be highly appreciated.


With thanx,
Vivek
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