[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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