AMBER Archive (2007)

Subject: Re: AMBER: Example needed for addAtomType command

From: Kara Di Giorgio (kdigiorgio_at_sbcglobal.net)
Date: Thu Feb 01 2007 - 17:02:39 CST

Is there some place that lists the hybridizations allowed? Where would
I look it?

Thanks,

Kara

On Feb 1, 2007, at 2:30 PM, David A. Case wrote:

> On Thu, Feb 01, 2007, Kara Di Giorgio wrote:
>
>> I'm interested in understanding how to add a different atom type to
>> use
>> with xLeap. I'm using Amber 8. I looked at the manual and found the
>> command is addAtomType and you need to define the type and the
>> hybridization. However, I'm not sure how to apply it.
>
> Look in the leaprc files in $AMBERHOME/dat/leap/cmd. They all use
> this
> command.
>
> ...dac
>
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