I want to simmulate liquid argon using amber. I have created a fcc
lattice of argon as a starting coordinate file. but, argon is not an
inbuild unit in AMBER. so, how can I produce an unit for argon? what
is the format of creating a library file? Do I need to use
antechamber?
On 5/8/12, David A Case <case.biomaps.rutgers.edu> wrote:
> On Tue, May 08, 2012, jit mukherjee wrote:
>
>> Ok, I connect the two units by TER. Now, how to define the non-bonded
>> parameters between the two units XXX and YYY?
>
> ??? You should not need to do anything, since loading both the Amber and
> the
> gaff parm files gives LEaP everything it needs to know.
>
> The usual advice:
> 1. don't be afraid to experiment
> 2. Read any error messages carefully; use the search box at the amber
> mailing
> list archives to see if the problem has come up before.
> 3. if you can't solve a problem and need to ask on the list, be specific
> about what you did and exactly what error messages you received.
>
> ....dac
>
>
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>
--
jit mukherjee
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Received on Tue May 08 2012 - 21:00:02 PDT
