Hi,
I used to have similar problem. Try using double precision. Worked for me.
Best
Quoting Albert <mailmd2...@gmail.com>:
hello:
I am trying to run do_dssp by command:
do_dssp -s md.tpr -f md.trr -b 400 -e 500 -o fws_ss.xpm
but it said:
Select a group: 1
Selected 1: 'Protein'
There are 35 residues in your selected group
trn version: GMX_trn_file (single precision)
Reading frame 400 time 400.000
Back Off! I just backed up ddbXn2WY to ./#ddbXn2WY.1#
-------------------------------------------------------
Program do_dssp, VERSION 4.5.5
Source code file: do_dssp.c, line: 572
Fatal error:
Failed to execute command: /usr/local/bin/dssp -na ddbXn2WY ddeWknkk >
/dev/null 2> /dev/null
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
"It's just the way this stuff is done" (Built to Spill)
Rohit Arora
Laboratoire de Biologie et de Pharmacologie Génétique Appliquée (CNRS UMR
8113)
Ecole Normale Supérieure, Cachan
France
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