AMBER Archive (2004)

Subject: Re: AMBER: leap.log warnings

From: German Sciaini (gsciaini_at_q1.fcen.uba.ar)
Date: Tue Jun 22 2004 - 05:50:01 CDT


Hi Lui, Look at atom types hib., probably you have a problem there...with
"sp2"...see leap.log and look for HCs hib..Might be you have to re define
a new one...

Luck...

G.

At 09:18 a.m. 21/06/2004 +0800, you wrote:
>Dear Amber Users:
>
>When I build topology and coordinate files using leap, it looks fine--
>just give out a list of 'old PREP-specified impropers'. But I find the
>leap.log shows many warnings like:
>-------
>** Warning: No sp2 improper torsion term for CY-HC-CX-HC
> atoms are: CAB HVC2 CBB HVT2
>-------
>
>What does it mean? Could it has influence on MD? Any help would be highly
>appreciated!
>
>Best Regards!
>
>Liu
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