AMBER Archive (2008)

Subject: Re: AMBER: Using antechamber without AMBER program

From: David A. Case (case_at_scripps.edu)
Date: Mon Feb 04 2008 - 19:55:47 CST

On Mon, Feb 04, 2008, Surasak Chunsrivirot wrote:
>
> Also, in the case of polymer (PGA for example) with infinite length (with
> periodic boundary condition). Is antechamber able to automatically generate
> a force field for this polymer? What should I do in this case? Build a force
> field for a few monomers (5) maybe?

You would first need to find a program that can carry out such simulations.
Amber can't do this, and I do not think that CHARMM or NAMD can either
(although I might be wrong there). Identifying the simulation program you
would use will provide input into how the potentials need to be described.

Since Amber doesn't do this sort of simulation, it is likely that you will
need to learn on your own, and/or find other forums to get detailed help.

...regards...dac

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