[gmx-users] Another do_dssp problem

[Clement Angkawidjaja]

Dear Gromacs gurus,

Forgive me for starting another topic on do_dssp.

I encountered a somewhat different problem with the program. The 
environment and dssp permission setup are (supposedly) OK, but the dssp 
stuck at frame 0.

============
do_dssp -f md.trr -s md.tpr -e 200

...
Selected 5: 'MainChain'
There are 566 residues in your selected group
Opening library file /usr/local/gromacs-3.3.3/share/top/ss.map
Reading frame       0 time    0.000
Back Off! I just backed up ddd9M9eN to ./#ddd9M9eN.1#
============

And it just stayed there forever (1 hour and counting on a 2.7 GHz machine).

I am using the old dssp (dsspcmbi) and (as directed) compiled it using 
GCC and CC (neither worked).

Running dssp executable never gives any problem.

Any ideas?

Thanks.

-- 
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Clement Angkawidjaja, PhD.
G30 Assistant Professor
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Chemistry-Biology Combined Major Program
International College, Osaka University
1-30 Machikaneyama-cho
Toyonaka, Osaka 560-0043, Japan
http://www.icou.osaka-u.ac.jp/cbcmp/
Tel. +81-6-6850-5952
Fax +81-6-6850-5961
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Laboratory of Molecular Biotechnology
Graduate School of Engineering, Osaka University
2-1 Yamadaoka U1E-804
Suita, Osaka 565-0871, Japan
http://www.mls.eng.osaka-u.ac.jp/~bio_ext/mlsbe123/clement.html
Tel/Fax +81-6-6879-4157
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