On Wed, May 07, 2014, 张明焜 wrote:
>
> I want to simulate Glycine in vacuum with amber,what I done like this:
Glycine is not part of the standard amber library. You need to construct
your own library for it, as you would for any other organic molecule. The
most common approaches are to use antechamber (see tutorial B4), or which
external programs like R.E.D. or Wolf2Pack (see links on the Amber web page.)
....dac
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Received on Wed May 07 2014 - 05:30:03 PDT
