Hi Cahit,
p_target is a interaction property which has to be specified for each
coarse-grained interaction (e.g. CG-CG from the water tutorial).
Thus p_target has to be in
<cg>
<non-bonded>
<name>CG-CG</name>
(...)
<inverse>
<p_target>1</p_target>
(...)
in your settings file.
Hope this helps!
Greetings,
Sebastian
Hi,
I am trying to use the function of simple pressure correction. I get
an error saying:
"
csg_get_interaction_property: csg_property failed on getting value
inverse.p_target and no default given
do_external: subscript
/home/username/votca/share/votca/scripts/inverse/pressure_cor_simple.pl
2977.61 pressure_cor.d (from tags pressure_cor simple) failed
"
Inside inverse.log:
"
New pressure 2977.61
Apply simple pressure correction for interaction CG-CG
Running subscript 'pressure_cor_simple.pl 2977.61 pressure_cor.d'(from
tags pressure_cor simple)
do_external: subscript
/home/username/votca/share/votca/scripts/inverse/pressure_cor_simple.pl
2977.61 pressure_cor.d (from tags pressure_cor simple) failed
killing all processes....
"
However in my settings.xml file I have defined inverse.p_target:
<post_update>pressure</post_update>
<post_update_options>
<pressure>
<type>simple</type>
<do>1</do>
<simple>
<scale>0.001</scale>
</simple>
</pressure>
</post_update_options>
.
.
.
<inverse>
<p_target>1.0</p_target>
.
.
.
</inverse>
Thank you,
Cahit
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