[gmx-users] RE: pdb2gmx error

[MURAT CETINKAYA]

I will do what you suggest David. But, I have plenty of these lines, so I was
avoiding that method. However, it seems the only solution right now.

Thanks
Murat

> Hi all,
> 
> I have a small problem with pdb2gmx. I have a non-standard residue with rtp
> parameters entered manually into oplsaa database. When I try to convert my pdb
> file into gro, I get:
> -------------------------------------
> Program pdb2gmx, VERSION 3.3.1
> Source code file: toputil.c, line: 94
> 
> Fatal error:
> Increase MAXSLEN in src/kernel/grompp.h to at least 35, or shorten your
> definition of bonds like 2.87441 0.58158 2.092 -5.54799 0 0 to at most 31


put a string there, say "my_rb_dih_1", and then add the real definition 
in the ffoplsaabon.itp file.

> -------------------------------------
> Mentioned line is one of my RB dihedral parameters.
> 
> I got the same problem with gromacs 3.2.1, but I dont know how I got rid of
it.
> I also could not find grompp.h in the mentioned location.
> 
> I cannot truncate my parameters in order to fit for 31 character-space, so I
am
> clueless.
> 
-- 
David.