Actually it is about to add a new form of potential energy function.
A quick but dirty method is to user User Table for NB interaction. Check
it from the manual.
Regards,
Yang Ye
Tandia, Adama wrote:
Dear ALL:
Is it documented somewhere how can one add a new non-bonded force field
into Gromacs? I'm interested on adding the Stillinger-Weber force field,
with two and three body contributions. Has anyone ever tried this
before?
Thanks in advance for your answers.
Best wishes,
Adama
==========================================
Adama Tandia
Modeling & Simulation
Corning INC
USA
Tel: 607 248 1036
Fax: 607 974 3405
www.corning.com
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