Hi Hansjörg, could you send me the output generated by the TremoloGUI configure script? Are you able to compile other programs using Qt3? Regards, Tim Seybold Hansjörg schrieb:

thanks a lot for the answer I tried to subscribe, but I think somethign went wrong, so i'll try again, I am using QT3 (3.3) on suse linux 10.3 x64, gcc version 4.2.3 20071030 (prerelease) (SUSE Linux), hope this helps to find the clue.

I also tried on an older machine with suse 10.0 and gcc version 4.0.2 20050901 (prerelease) (SUSE Linux) but with the same problem.

It would be kind to remind me when you release a new version. Thanks a lot for the info best hansjoerg

-----Original Message----- From: Tim Golla [mailto:golla@ins.uni-bonn.de] Sent: Tue 9/2/2008 8:12 PM To: Seybold Hansjörg Cc: Ralf Wildenhues Subject: Re: [Fwd: FW:]

Hi,

could you give us some details concerning your configuration? Which Linux distribution (or Cygwin?) are you using?

Tim

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Betreff: FW: Von: Seybold Hansjörg <seybold@ifb.baug.ethz.ch> Datum: Tue, 2 Sep 2008 12:04:08 +0200 An: <mol@ins.uni-bonn.de>

An: <mol@ins.uni-bonn.de>

Hi! I tried to post my question on the user list, but I don't know if it arrived there. Hope you can help me. thanks a lot hansjoerg

-----Original Message----- From: Seybold Hansjörg Sent: Fri 8/29/2008 11:05 AM To: tremolo-users@ins.uni-bonn.de Subject:

Hi! I am new on the tremolo list and i'd like to try out the MD code. I successfully downloaded the tremolo-0.5.tar.gz package and compiled it successfully with MPI support. The make check runs through the help test but fails for the other two. testing the serial code with the examples in tremolo-0.5/defaults fails when parsing the file e.g. for the h2o example =============================================================================================== ... You have: kcal / mole N_A angstrom^3 You want: bar * 69523.497 / 1.4383626e-05

in ./parse.c:238: parse warning in .validates:4:43 (col 43): Ignoring validation of force_type in ./parse.c:238: parse warning in .validates:5:35 (col 35): Ignoring validation of force_type in ./parse.c:238: parse warning in .validates:6:36 (col 36): Ignoring validation of force_type in ./parser.c:460: parse warning in .potentials:2:158 (col 190): reading integer as double in ./parser.c:460: parse warning in .potentials:3:158 (col 190): reading integer as double Keyword combination unknown: 2 keys: angle spme error: in ./parser.c:387: parse error in .parameters:65:24 (col 46): unknown symbol ================================================================================================ Other examples fail due to similar reasons when parsing the files. Is there a new version 0.6? and the examples already ise some new keys?

In particular i'd like to try out the gui version, but i was not able to compile either the tremologui-0.6.tar.gz or the tremologui-0.5.tar.gz

* configure works fine * make falis with the errors ================================================================================================ ... In file included from angletable.cpp:353: angletable.moc:11:2: error: #error "The header file 'angletable.h' doesn't include <QObject>." In file included from angletable.cpp:353: angletable.moc:60: error: 'const QMetaObject AngleTable::staticMetaObject' is not a static member of 'class AngleTable' angletable.moc:60: error: variable 'const QMetaObject AngleTable::staticMetaObject' has initializer but incomplete type angletable.moc:65: error: prototype for 'const QMetaObject* AngleTable::metaObject() const' does not match any in class 'AngleTable' angletable.h:33: error: candidate is: virtual QMetaObject* AngleTable::metaObject() const angletable.moc:65: error: 'const QMetaObject* AngleTable::metaObject() const' cannot be overloaded ... ================================================================================================== perhaps you can give me some hints how i can get the gui running.

thanks a lot hansjoerg