[gmx-users] Editing potential parameters

Asaf Farhi asaf.farhi at weizmann.ac.il
Mon Mar 19 11:06:47 CET 2012

Dear Gromacs user

Hi. My name is Asaf and I'm trying to edit potential parameters for the non bonded interaction potential terms between specific atoms (k1 for 1 subset of pairs and k2 for anoother subset of pairs).
Is the pairs section in the topology file the correct place to do this? and if so how would you incorporate spring constant for particular pair interaction?

Many thanks.
Best regards,
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