Dear Gromacs users, I am planning to use tabulated potentials for the non-bonded interactions for my system. As my system contain some non-bonded interactions in the standard buckingham format and some interactions are similar to buckingham ( i.e., buckingham + some polarization term). Here my doubt is can we use the tables only for the interactions which contain buckingham + polarization term and remaining interactions through standard buckingham potential ( without tables ) ? i.e., Is it possible to use both tables and normal standard interactions together in gromacs ?
I have understood that atomic interactions specified in energygrp_tables read potentials from specific tables and atomic interactions which are specified in energygrps and not specified in energygrp_table will read potentials from general table table.xvg. here my doubt is how about the atomic interactions which are not specified in energygrps and energygrp_tables. Do they read potentials from the general table table.xvg or not . Can we use normal potentials to these interactions alone without tables. Any help will be highly appreciated. Thank you in advance. Regards, Ramesh.
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