[gmx-users] User defined Potential Table

[Rahul Godawat]

Hi Berk,

 

Groamcs user forum has really been extremely useful so far to work with
gromacs.  I want to apply a user defined potential for selected energy
groups. Its hard to interpret the information on the gromacs webpage and
even going through mailing list archives did not answer many questions I
have.

 

All of my energy groups would interact with normal LJ and use PME for
coulombtype (if they have charges) except for 3-4 combinations I want to use
WCA potential which has a well defined functional form. How would you
suggest going about it.

 

Thank you very much

 

Rahul

 

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