Re: warnings while using amber files

From: amin_at_imtech.res.in
Date: Thu Dec 25 2014 - 21:54:38 CST

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I think I should add that I am using NAMD-2.9 x64 (ibverbs) and
ambertools 14.

Amin.

On 2014-12-25 16:44, amin_at_imtech.res.in wrote:

> Dear all,
>
> I am trying to run a simulation with amber prmtop and inpcrd files made using tleap. I have used amber ff14sb force field. In the log file I get the following warnings:
>
> PARM file in AMBER 7 format
> Warning: Skipping ATOMIC_NUMBER in parm file while seeking MASS.
> Warning: Skipping SCEE_SCALE_FACTOR in parm file while seeking SOLTY.
> Warning: Skipping SCNB_SCALE_FACTOR in parm file while seeking SOLTY.
> Warning: Encounter 10-12 H-bond term
> Warning: CORRECTION OF ZERO MASS ATOMS TURNED OFF BECAUSE LONE PAIRS ARE USED
> Warning: Found 32738 H-H bonds.
>
> Then I get many lines where only "ERROR" is written.
>
> Can someone please help me with this?
>
> Regards.
>
> Amin.

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