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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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