[gmx-users] Adding a new force field to Gromacs
leafyoung81-group at yahoo.com
Sat Mar 17 17:26:46 CET 2007
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.
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
> Thanks in advance for your answers.
> Best wishes,
> Adama Tandia
> Modeling & Simulation
> Corning INC
> Tel: 607 248 1036
> Fax: 607 974 3405
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