[gmx-users] pdb2gmx compiled with MinGW on WindowsPC

[Makoto Yoneya]

Dear GROMACS users:

This is a self-response for my query in below.

> Does anybody uses gromacs (actually 4.6.7) compiled with MinGW on windows
> PC?
> I'd been using that without any troubles.
> However, quite recently, I firstly tried pdb2gmx (gromacs-4.6.7 compiled
> with MinGW on windows PC) and met the trouble.
> (I'm not bio-related person and I did not use pdb2gmx ever!) Force field
> scan does not work with the pdb2gmx with MinGW.
> I guess it may related to the dirent functions.
> Any other common programs (e.g., grompp, runmd etc.) runs without troubles.
> Any info.s on pdb2gmx compiled with MinGW on windows PC will be welcome!

It seems no one uses gromacs compiles with MinGW.
The problem in above really caused by dirent function on MinGW.
MinGW has dirent.h but it does not work for gromacs.
Then a solution I found was the followings.
In the src/gmxlib/futil.c, change every lines with the structures,

#ifdef HAVE_DIRENT_H
 bra-bra
#elif (defined GMX_NATIVE_WINDOWS)
 bra-bra
#endif

to

#ifdef GMX_NATIVE_WINDOWS
 bra-bra
#elif (defined HAVE_DIRENT_H)
 bara-bra
#endif.

Just the change the order to stop using dirent in MinGW.
Hope it helps someone.

Regards,

Makoto Yoneya, Dr.
AIST, Tsukuba
JAPAN