[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2

Krapnik krapnik at gmail.com
Fri Oct 22 15:10:16 CEST 2010

Thanks Justin,
this explains everything. I've got #include "my.ff/forcefield.itp" line in
my top file.

> My guess is that this is a matter of how the force field was #included in
> the
> .top file.  For instance:
> #include "my.ff/forcefield.itp"
> will match $GMXLIB first, but
> #include "./my.ff/forcefield.itp"
> will match the working directory first.  Is this perhaps the issue you're
> finding?  Other simple #include statements (like #include "ions.itp", etc)
> still
> use the old order of preference, but subdirectories make that a bit more
> difficult.
> --
Zdraví skoro zdravý
Karel "Krápník" Berka

RNDr. Karel Berka, Ph.D.
Palacký University in Olomouc
Faculty of Science
Department of Physical Chemistry
tř. 17. listopadu 1192/12
771 46 Olomouc
tel: +420-585634769
fax: +420-585634769
e-mail: karel.berka at upol.cz

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