[gmx-users] ARGN

Roberto Marchese roberto.marchese at gmail.com
Wed Jul 4 16:51:00 CEST 2007

Dear Gromacs Users,
Sorry for the repeated question, but I have some problems with ARGN.
If I use ARGN in to PDB, pdb2gmx return this error:

Source Code file: pgutil.c, line: 87

Fatal error:
Atom NZ not found in residue 2 while adding improper"

The residue 2 is an Arginine.
The NZ atom doesn't exist in ARG and ARGN template (OPLSAA force field).

I have see from gromacs.org that exist a 3.3.2 version, whit a  
pdb2gmx that implement -arg and -gln option. But this distribution  
isn't available on gromacs' site.
Someone know how to have this distribution, or a method for insert  
ARGN residues?

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