AMBER Archive (2008)

Subject: Re: AMBER: running AMBER in NAMD Trucated Octahedron

From: Jojart Balazs (jojartb_at_pharm.u-szeged.hu)
Date: Mon Jan 14 2008 - 16:31:05 CST


Dear eth,
see the gromacs-3.3 manual page 13.
hope this helps.
Balazs Jojart
Seth Lilavivat írta:
> Dear Amber Users,
>
> I am running an AMBER simulation using NAMD. Is there a way to use the
> trucated octahedron water box that I created using leap? If so, how
> would I calculate the correct Cell Basis Vectors and PME Grid Size for
> my NAMD configuration file correctly?
>
> Thanks,
> Seth

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