[gmx-users] interaction forces
Martin Rex
rexm at thphy.uni-duesseldorf.de
Thu Oct 7 12:31:57 CEST 2004
Thank you very much for your answer.
>>is it posible to apply two different interaction potentials to one atom
>>depending on the counterpart? For example OW-OW 6-12 LY and OW-NA 6-10
>>LY.
>If you only need OW-OW and OW-NA it is possible using the user tables.
>But with one extra interaction, for instance NA-NA it becomes impossible.
That is all I need. But how is it done? Is it possible to define a
user-table that only affects a certain atom combination like OW-NA?
Martin
>Berk.
More information about the gromacs.org_gmx-users
mailing list