[gmx-users] can not split pdb beyond 1019

gromacs query gromacsquery at gmail.com
Mon Oct 6 16:18:24 CEST 2014

Hi All,

I am trying to split my trajectory in single frame pdbs for some analysis
using trjconv but it ends with an error after ouput 1019 pdbs. I tried with
different version of gromacs (4.6.3 and 5.0) its the same error.

trjconv -s ../em.tpr -f ../image_fitted.trr -o test.pdb -split 10 -b 40000
-e 96000 -n ndx.ndx


/src/gmxlib/futil.c, line: 1032

Fatal error:
Library file residuetypes.dat not found in current dir nor in default

Why 1019 is a magic number? Even I tried changing -b where trjconv stopped
reading. It seems what ever part of trajectory I choose it ends always at
1019 frames. Also error (Library file residuetypes.dat not found in) does
not seems to be correct as if it would have been the case then I should not
have got any frame read.

Thanks for any help

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