AMBER Archive (2006)

Subject: RE: AMBER: Could not find atom type.

From: Yong Duan (duan_at_ucdavis.edu)
Date: Mon Apr 17 2006 - 11:45:10 CDT

Dear Sergey:

You may check out this thread:

http://amber.ch.ic.ac.uk/archive/200508/0081.html

The error message means that the bond, bond angle, and torsion paramters for
C2 type have not been defined/developed in AMBER (although the type has been
defined). If you need the parameters, you may need to develop your own.

It may be a good idea that you try antechamber to see the atom-type
assignment which might be more compatible with AMBER ff parameter sets.

yong

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Sergey Krishtal
> Sent: Monday, April 17, 2006 2:08 AM
> To: amber_at_scripps.edu
> Subject: AMBER: Could not find atom type.
>
>
> Dear Amber Users,
>
> Could you advise me please what to do in the following
> situation: I`m going to simulate CH2-group as a single site.
> I specified this group as C2. When I try to save prmtop and
> inpcrd files I get the following message: "Could not found
> type C2". However, leaprc.ff03 adds C2-type with sp3 hybridization.
>
> I would be grateful for any help.
>
> Best regards,
>
> Sergey Krishtal
>

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