> > I am trying to add an extra repulsive potential for neighboring hydroxyl > groups on a carbon chain and have heard that this can be done using table > functions. Is there a good resource on how to create these table function > files or even someplace where I could get an example of them? Thanks. > > The examples are in the topology folder of the gromacs installation. As for me they are quite self-explanatory.
-- Vitaly V. Chaban, Ph.D. (ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, mob.: +38-097-8259698
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