[gmx-users] problems with tutor version 4.5.1

[Christian Schaffner]

Hi guys

Are the tutorials from /share/gromacs/tutor still up to date?

In GMXDEMO, I first had to make the file demo executable first by
chmod +x demo

Then, in Step 3, when running pdb2gmx, the executable window only shows
up very quickly and the demo-program hangs. Probably, this is due to the
(new?) choices that need to be made in the program.


When trying to run
grompp -v
in the subdirectory water, I get
-------------------------------------------------------
Program grompp, VERSION 4.5.1
Source code file:
/ufs/schaffne/export/bio/gromacs-4.5.1/src/kernel/grompp.c, line: 1301

Fatal error:
Too many warnings (1), grompp terminated.
If you are sure all warnings are harmless, use the -maxwarn option.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
I can use
grompp -v -maxwarn 3
which then works fine.


When running
grompp -v
in subdirectory mixed, I get
-------------------------------------------------------
Program grompp, VERSION 4.5.1
Source code file:
/ufs/schaffne/export/bio/gromacs-4.5.1/src/gmxlib/gmxcpp.c, line: 248

Fatal error:
Topology include file "methanol.itp" not found
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
which I don't know how to fix.


Thanks for some help,
Chris