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
On Thu, Oct 21, 2010 at 14:28, Justin A. Lemkul jalem...@vt.edu wrote:
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
Karel Berka wrote:
Hi all,
I have detected that preference in reading forcefield files in Gromacs
4.5 has probably been changed from Gromacs 4.0.x and older.
In older gromacs, when there was forcefield with modification present in
my working directory, then it was read
Karel Berka wrote:
Karel Berka wrote:
Hi all,
I have detected that preference in reading forcefield files in
Gromacs
4.5 has probably been changed from Gromacs 4.0.x and older.
In older gromacs, when there was forcefield with modification
present in
Hi all,
I have detected that preference in reading forcefield files in Gromacs 4.5
has probably been changed from Gromacs 4.0.x and older.
In older gromacs, when there was forcefield with modification present in my
working directory, then it was read preferentially, but now it seems that
Karel Berka wrote:
Hi all,
I have detected that preference in reading forcefield files in Gromacs
4.5 has probably been changed from Gromacs 4.0.x and older.
In older gromacs, when there was forcefield with modification present in
my working directory, then it was read preferentially, but
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