Dear Votca Users,
Dihedral potential obtained from is range -3.14 to 3.14. I would like
to convert it to gromacs format using csg_call. How do I make options.xml
file? When I use the following xml file, it only produce from 0 to 3.14 not
-3.14.
<cg>
<bonded>
<!-- name of the interaction -->
<name>bond</name>
<min>0.285</min>
<max>0.615</max>
<step>0.001</step>
</bonded>
<inverse>
<gromacs>
<pot_max>1e8</pot_max>
<table_end>3.14</table_end>
<table_bins>0.001</table_bins>
</gromacs>
</inverse>
</cg>
Thank you.
Best regards,
Changwoon Jang,
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