[gmx-users] gromacs under cygwin

DV diegovallejo at mdq.com.ar
Sat Aug 16 15:47:00 CEST 2003


Claudio,

in my own cygwin installation the cpp preprocesor is located in /bin/cpp
rather than /lib/cpp

create a link in /lib/ pointing to /bin/cpp so usual mdp files will run ok.

	cd /bin
	ln /lib/cpp.exe

Saludos
Diego Vallejo  -  vallejo at iflysib.unlp.edu.ar  ++++++++++++++++++++++
Instituto de Física de Líquidos y Sistemas Biológicos  - UNLP/CONICET
59 Nº789  (B1900BTE) La Plata.                                      +
Tel: +54 221 425 4904/ 423 3283  #17    Fax: +54 221 425 7317       +


-----Mensaje original-----
De: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]En
nombre de Claudio J. Margulis
Enviado el: Viernes, 15 de Agosto de 2003 08:21 p.m.
Para: gmx-users
Asunto: [gmx-users] gromacs under cygwin


I managed to compile gromacs under cygwin on my laptop and everything
looks fine (for example ngmx works great)
however when I tried to grompp something I get core dumps. Any idea of
what went wrong?
Thanks!

This is water from the tutor example

    -maxwarn    int     10  Number of warnings after which input processing
                            stops
-[no]check14   bool     no  Remove 1-4 interactions without Van der Waals

creating statusfile for 1 node...

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Cleaning up temporary file grompp003160
Fatal error: Bonded/nonbonded atom type 'ðúw`8õwÿÿÿÿã9ùwrÝw1' not found!


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