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?
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
