Re: [AMBER] xleap could not find the type Cl-

From: Sanjib Paul <sanjib88paul.gmail.com>
Date: Sat, 9 Feb 2013 23:24:03 +0530

Hii Dac,
              Yes, I am using ff12SB. Thank you.
Sanjib

On Sat, Feb 9, 2013 at 8:19 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Sat, Feb 09, 2013, Sanjib Paul wrote:
>
> > For atom: .R<Cl- 4897>.A<Cl- 1> Could not find type: Cl-
>
> I have to guess here, since you didn't give much information about what you
> actually did.
>
> If you are using a recent Amber ff (ff10 or ff12SB, for example), you must
> explicitly load the ion parameters you want, which are the ones that are
> matched to the water model you are using.
>
> See section 2.11 of the AmberTools12 Reference Manual.
>
> ...dac
>
>
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Received on Sat Feb 09 2013 - 10:00:03 PST
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