[gmx-users] pdb2gmx error

[David van der Spoel]

MURAT CETINKAYA wrote:
> 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.
> 
> I will appreciate any help. Thanks in advance.
> Murat Cetinkaya
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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