Dear Users, I am trying to create gromacs table for dihedrals:
csg_call --options table.xml --ia-type bonded convert_potential gromacs 9dihedralRES_extr table_d9.xvg where table.xml <cg> <inverse> <gromacs> <pot_max>1e4</pot_max> <table_end>180</table_end> <table_bins>0.05</table_bins> </gromacs> </inverse> </cg> But the table_d9.xvg starts from 0 to 180... I wish it starts from -180 to 180. How can I specify it? Steven -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
