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.
--
################################################################
Clement Angkawidjaja, PhD.
G30 Assistant Professor
----------------------------------------------------------------
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
----------------------------------------------------------------
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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